Allylamine, N,N-bis(2-chloroethyl)-
Basic information
- CAS
63905-36-2- Standard SMILES
C=CCN(CCCl)CCCl- InChIKey
ISDBSWZMAMHJRR-UHFFFAOYSA-N- Molecular formula
- C7H13Cl2N
- Average molar mass
- 182.09 g/mol
- Monoisotopic mass
- 181.0425048
Names & identifiers
- Preferred name
- Allylamine, N,N-bis(2-chloroethyl)-
- IUPAC
- N,N-bis(2-chloroethyl)prop-2-en-1-amine
- English name
- N,N-Bis(2-chloroethyl)-2-propene-1-amine
- Molecular formula
- C7H13Cl2N
- Molecular weight
- 182.09
Names & synonyms
N,N-Bis(2-chloroethyl)allylamine63905-36-2ALLYLAMINE, N,N-BIS(2-CHLOROETHYL)-TL 341BRN 1755567Diethylamine, 2,2'-dichloro-N'-allyl-DTXSID902135414-04-00-01059 (Beilstein Handbook Reference)RefChem:318101DTXCID20136032N,N-bis(2-chloroethyl)prop-2-en-1-amineN,N-bis(2-chloroethyl)-2-propene-1-amine
Show more names
TL-3412-Propen-1-amine, N,N-bis(2-chloroethyl)-
SCHEMBL1248732DB-308761
Database identifiers
- CAS
63905-36-2- PubChem CID
- 45077
- DTXSID
DTXSID90213541- Nikkaji
- J90.475I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 79.7
Physicochemical properties
- Boiling point
- 80 °C · 80 °C(Press: 3 Torr)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- pka
- 5.53 · 5.53±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…