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Bis(2-chloroethyl)-D8-amine hcl

HCID 178653602
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Basic information

CAS
102092-04-6
Standard SMILES
[2H]C([2H])(Cl)C([2H])([2H])[N+]([2H])([2H])C([2H])([2H])C([2H])([2H])Cl.[Cl-]
InChIKey
YMDZDFSUDFLGMX-IZOQRZGISA-N
Molecular formula
C4H10Cl3N
Average molar mass
188.54 g/mol
Monoisotopic mass
187.05065

Names & identifiers

Preferred name
Bis(2-chloroethyl)-D8-amine hcl
IUPAC
bis(2-chloro-1,1,2,2-tetradeuterioethyl)-dideuterioazanium chloride
English name
BIS(2-CHLOROETHYL)-D8-AMINE HCL
Molecular formula
C4Cl3D10N
Molecular weight
188.55

Names & synonyms

BIS(2-CHLOROETHYL)-D8-AMINE HCL102092-04-6Bis(2-chloro-1,1,2,2-tetradeuterioethyl)-dideuterioazanium;chlorideBis-d8-aMine HClBis(2-chloroethoxy)-D8-amine HClBis(2-chloroethyl)amine-[d8] Hydrochloride

Database identifiers

CAS
102092-04-6
PubChem CID
92043832

Properties

Computed structural properties

Topological polar surface area
16.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
8
Formal charge
0
Complexity
28.9

Chemistry & industry

Applications

UsesBis(2-chloroethyl)-d8-amine HCl (CAS# 102092-04-6) is a useful isotopically labeled research compound.

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