| CAS Number | 13105-93-6 |
| Catalog Number | AG01ELSD(AGN-PC-0JMYT5) |
| Chemical Name | N-(2-chloroethyl)-N-ethylpropan-1-amine hydrochloride |
| IUPAC Name | N-(2-chloroethyl)-N-ethylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C7H16ClN.ClH/c1-3-6-9(4-2)7-5-8;/h3-7H2,1-2H3;1H |
| InChI Key | LPAYIGBMBQUNHV-UHFFFAOYSA-N |
| MDL Number | MFCD01694937 |
| Molecular Formula | C7H17Cl2N |
| Molecular Weight | 186.1226 |
| SMILES | CCCN(CCCl)CC.Cl |
| Synonyms | Ethyl-n-propyl-beta-chloroethylamine hydrochloride,
Propylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride,
13105-93-6,
N-(2-Chloroethyl)-N-ethylpropylamine hydrochloride,
N-(2-chloroethyl)-N-ethylpropan-1-amine hydrochloride,
AC1L48ZO,
DTXSID00156859,
LS-125564,
C7-H16-Cl-N.Cl-H,
CID202692,
N-(2-chloroethyl)-N-ethylpropan-1-amine,hydrochloride,
|
| Complexity | 56.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.12g/mol |
| Monoisotopic Mass | 185.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number