| CAS Number | 69749-71-9 |
| Catalog Number | AG01A114(AGN-PC-025N4Q) |
| Chemical Name | (4-Chlorobutyl)Dimethylamine Hydrochloride |
| IUPAC Name | 4-chloro-N,N-dimethylbutan-1-amine;hydrochloride |
| InChI | InChI=1S/C6H14ClN.ClH/c1-8(2)6-4-3-5-7;/h3-6H2,1-2H3;1H |
| InChI Key | AUWCSYMRRXWIOE-UHFFFAOYSA-N |
| MDL Number | MFCD02259384 |
| Molecular Formula | C6H15Cl2N |
| Molecular Weight | 172.0960 |
| SMILES | Cl.CN(CCCCCl)C |
| Synonyms | (4-chlorobutyl)dimethylamine hydrochloride,
69749-71-9,
(4-chloro-butyl)-dimethyl-amine; hydrochloride,
4-chloro-N,N-dimethylbutan-1-amine hydrochloride,
SCHEMBL1996926,
AUWCSYMRRXWIOE-UHFFFAOYSA-N,
AKOS026729169,
NE26866,
CS-0059660,
FT-0715914,
1-chloro-4-(dimethylamino)butane hydrochloride,
1-chloro-4-(dimethylamino)-butane hydrochloride,
|
| Complexity | 45.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.093g/mol |
| Monoisotopic Mass | 171.058g/mol |
| Rotatable Bond Count | 4 |
| 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