Benzylamine, N-(2-chloroethyl)-N-isopropyl-, hydrochloride
Basic information
- CAS
66903-14-8- Standard SMILES
CC(C)[NH+](CCCl)Cc1ccccc1.[Cl-]- InChIKey
SHVKNBPGXONVHI-UHFFFAOYSA-N- Molecular formula
- C12H19Cl2N
- Average molar mass
- 248.19 g/mol
- Monoisotopic mass
- 247.089455
Names & identifiers
- Preferred name
- Benzylamine, N-(2-chloroethyl)-N-isopropyl-, hydrochloride
- IUPAC
- benzyl-(2-chloroethyl)-propan-2-ylazanium chloride
- English name
- Benzenemethanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1)
- Molecular formula
- C12H19Cl2N
- Molecular weight
- 248.19
Names & synonyms
BENZYLAMINE, N-(2-CHLOROETHYL)-N-ISOPROPYL-, HYDROCHLORIDERefChem:107951166903-14-8N-(2-Chloroethyl)-N-isopropylbenzylamine hydrochlorideNSC 39673Benzenemethanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1)
Database identifiers
- CAS
66903-14-8- PubChem CID
- 48357
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- form
- solid
- InChI
- 1S/C12H18ClN.ClH/c1-11(2)14(9-8-13)10-12-6-4-3-5-7-12;/h3-7,11H,8-10H2,1-2H3;1H
- InChIKey
- SHVKNBPGXONVHI-UHFFFAOYSA-N
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H310-H317-H319
- Precautionary statements
- 261 · P261-P262-P280-P301+P310+P330-P302+P352+P310
- WGK Germany
- 3 · WGK 3
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 1 DermalAcute · Acute Tox. 1 DermalAcute Tox. 3 OralEye Irrit. 2Skin Sens. 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H301-H310-H317-H319
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 3 OralEye Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P262-P280-P301+P310+P330-P302+P352+P310
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Compound notes
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