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N-Phenyldiethanolamine - 97%, high purity , CAS No.120-07-0
Basic Description
Synonyms
N,N-Di(.beta.-hydroxyethyl)aniline | AI3-01739 | N,N-Bis(2-hydroxyethyl)aniline | n,n-bis(2-hydroxyethyl)-aniline | N,N-Diethanolaniline | Z336079346 | DTXCID501962 | EINECS 204-368-5 | PHENYLDIETHANOLAMINE | CHEBI:194838 | Ethanol,2'-(phenylimino)di- | D
Specifications & Purity
≥97%
Storage Temp
Protected from light,Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines - Tertiary alkylarylamines
Direct Parent
Dialkylarylamines
Alternative Parents
Aniline and substituted anilines 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-[N-(2-hydroxyethyl)anilino]ethanol
INCHI
InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKey
OJPDDQSCZGTACX-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)N(CCO)CCO
Isomeric SMILES
C1=CC=C(C=C1)N(CCO)CCO
WGK Germany
2
RTECS
KM2100000
Molecular Weight
181.23
Beilstein
2096832
Reaxy-Rn
2096832
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096832&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water 3g/L @ 20℃.
Sensitivity
Light & Moisture & Air Sensitive
Flash Point(°F)
392 °F
Flash Point(°C)
200℃
Boil Point(°C)
270°C
Melt Point(°C)
55-59°C
Molecular Weight
181.230 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
181.11 Da
Monoisotopic Mass
181.11 Da
Topological Polar Surface Area
43.700 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
118.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Shuaijun Fang, Gaofeng Feng, Yuqiu Guo, Weiguo Chen, Hongfei Qian.
(2020)
Synthesis and application of urethane-containing azo disperse dyes on polyamide fabrics. DYES AND PIGMENTS,
176
(108225).
2.
Fugen Yuan, Zhanghai Gu, Li Li, Lin Sha.
(2017)
Novel cerium(IV)-diolate complex with a 13-nuclear cerium(IV)-oxo core: Synthesis, molecular structure and catalytic property for ε-caprolactone-polymerization. POLYHEDRON,
133
(393).
3.
Sun Wei, Zheng Yan, Zhang Xingyuan.
(2017)
Photoisomerization of waterborne polyurethane with side-chained phenylazonaphthalene group. POLYMER BULLETIN,
74
(8):
(3109-3121).
4.
Zhanghai Gu, Li Li, Qianwen Bao, Fugen Yuan.
(2015)
Lanthanocene Diolate Complexes: Synthesis, Structures and Catalytic Property for ε-Caprolactone Polymerization. CHINESE JOURNAL OF CHEMISTRY,
33
(5):
(563-567).
5.
Dan Li, Yutao Shen, Na Li, Xiaolong Li, Mao Li, Zijia Huang, Yong Zhao.
(2025)
A fluorescent optical fiber sensor for real-time, portable detection of alkaline phosphatase activity. SENSORS AND ACTUATORS B-CHEMICAL,
433
(137568).
6.
Wentao Wang, Xiaolong Guo, Weiwei Geng, Kanghui Wang, Wenzheng Zhang, Lu Liu, Yuang Zhang, Bingtao Tang, Liming Ding.
(2024)
Continuous fibers featuring high phase change enthalpy fabricated by melt spinning for thermal management. Journal of Energy Storage,
100
(113690).
7.
Yu Wang, Lingqi Shen, Yuan Yan, Bincheng Gong, Kexian Chen, Guohua Zhu, Zuguang Li.
(2024)
Ultrasound assisted upper critical solution temperature type switchable deep eutectic solvent based liquid-liquid microextraction for the determination of triazole in water. ANALYTICA CHIMICA ACTA,
1328
(343172).
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7 Citations
L2008227