2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride

HCID 218271

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Basic information

CAS: 40415-98-3
Standard SMILES: CCOC(C)(C)C#CCN(CCCl)CCCl.Cl
InChIKey: KDQCLBBSKWWYDQ-UHFFFAOYSA-N
Molecular formula: C12H22Cl3NO
Average molar mass: 302.7 g/mol
Monoisotopic mass: 301.076697

Names & identifiers

Preferred name: 2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride
IUPAC: N,N-bis(2-chloroethyl)-4-ethoxy-4-methylpent-2-yn-1-amine;hydrochloride

Names & synonyms

2-Pentyn-1-amine, N,N-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochlorideN,N-Bis(2-chloroethyl)-4-ethoxy-4-methyl-2-pentyn-1-amine hydrochloride40415-98-3DTXSID50193431RefChem:265057DTXCID60115922N,N-Bis(2-chloroethyl)-4-ethoxy-4-methylpent-2-yn-1-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 40415-98-3
PubChem CID: 218271
DTXSID: DTXSID50193431

Properties

Computed structural properties

Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 236

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