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N,N-Dibenzyl-2-aminoethanol - 98%, high purity , CAS No.101-06-4

COA

Grade & Purity:

≥98%

Cas Number: 101-06-4
Molecular Weight: 241.33
MDL number: MFCD00020574
PubChem CID: 22657
PubChem SID: 488182776

In stock

Item Number

N159696

Grouped product items
SKU	Size	Availability	Price
N159696-5g	5g	10	$21.90
N159696-25g	25g	7	$83.90
N159696-100g	100g	9	$300.90
N159696-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$410.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	InChI=1/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2 \| EINECS 202-911-0 \| STK283923 \| HMS1378N11 \| N,N-DIBENZYL-.BETA.-AMINOETHANOL \| Q27294269 \| W-108928 \| SR-01000390252-1 \| CS-0019647 \| AB00084862-01 \| EN300-85590 \| Op
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylmethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Aralkylamines Trialkylamines 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Aralkylamine - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Alcohol - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488182776
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182776
IUPAC Name	2-(dibenzylamino)ethanol
INCHI	InChI=1S/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2
InChIKey	WTTWSMJHJFNCQB-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=C2
Isomeric SMILES	C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=C2
RTECS	KJ8125000
Molecular Weight	241.33
Reaxy-Rn	2694923
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2694923&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
K2224615	Certificate of Analysis	Sep 23, 2022	N159696
K2224619	Certificate of Analysis	Sep 23, 2022	N159696
K2224657	Certificate of Analysis	Sep 23, 2022	N159696
D2323934	Certificate of Analysis	Sep 23, 2022	N159696
D2323937	Certificate of Analysis	Sep 23, 2022	N159696
D2323935	Certificate of Analysis	Sep 23, 2022	N159696
K2224636	Certificate of Analysis	Sep 23, 2022	N159696

Chemical and Physical Properties

Boil Point(°C)	206°C/15mmHg(lit.)
Melt Point(°C)	38 °C
Molecular Weight	241.330 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	241.147 Da
Monoisotopic Mass	241.147 Da
Topological Polar Surface Area	23.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	187.000
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

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