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Bis-tris-d₁₉ - 98 atom% D, 98% (CP), high purity , CAS No.352534-93-1
Basic Description
Synonyms
Bis-tris-d19, 98 atom % D, 98% (CP) | 1,1,3,3-tetradeuterio-1,3-dideuteriooxy-2-[dideuterio(deuteriooxy)methyl]-N,N-bis(1,1,2,2-tetradeuterio-2-deuteriooxyethyl)propan-2-amine | D99015 | 2,2-BIS(HYDROXYMETHYL)-2,2',2''-NITRILOTRIETHANOL-D19 | 2-{Bis[2-(~2
Specifications & Purity
≥98 atom% D,≥98%
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
Alkanolamines
Direct Parent
1,2-aminoalcohols
Alternative Parents
Trialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
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
Pubchem Sid
488199273
IUPAC Name
1,1,3,3-tetradeuterio-1,3-dideuteriooxy-2-[dideuterio(deuteriooxy)methyl]-N,N-bis(1,1,2,2-tetradeuterio-2-deuteriooxyethyl)propan-2-amine
INCHI
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,10D,11D,12D,13D,14D
InChIKey
OWMVSZAMULFTJU-ZMHMTVDGSA-N
Smiles
C(CO)N(CCO)C(CO)(CO)CO
Isomeric SMILES
[2H]C([2H])(C([2H])([2H])O[2H])N(C([2H])([2H])C([2H])([2H])O[2H])C(C([2H])([2H])O[2H])(C([2H])([2H])O[2H])C([2H])([2H])O[2H]
Molecular Weight
228.36
Reaxy-Rn
2205275
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205275&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive；Light sensitive
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Melt Point(°C)
104℃ (lit.)
Molecular Weight
228.360 g/mol
XLogP3
-3.300
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
8
Exact Mass
228.246 Da
Monoisotopic Mass
228.246 Da
Topological Polar Surface Area
104.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
125.000
Isotope Atom Count
19
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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E2329633