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| CAS No.: | 1936-40-9 |
|---|---|
| Name: | 2-Chloro-N,N-bis(2-chloroethyl)-1-propanamine |
| Molecular Structure: | |
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| Formula: | C7H14Cl3N•ClH |
| Molecular Weight: | 255.03 |
| Synonyms: | Novembikhin;1-Propylamine,2-chloro-N,N-bis(2-chloroethyl)-,hydrochloride;embikhin 7;Embichin 7;2-Chloro-N,N-bis(2-chloroethyl)-1-propylamine hydrochloride;Novoembichin;N,N-Bis(2-chloroethyl)-2-chloropropylamine hydrochloride;Novembichin; |
| Density: | g/cm3 |
| Melting Point: | 78-79.4° |
| Boiling Point: | 174°Cat760mmHg |
| Flash Point: | 59°C |
| Safety: | Poison by intraperitoneal and subcutaneous routes. Mutation data reported. An anticancer agent. When heated to decomposition it emits toxic fumes of NOx and HCl. |
| PSA: | 3.24000 |
| LogP: | 3.19530 |
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Chemistry
Product Name: Novembichin (CAS NO.1936-40-9)
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Molecular Formula: C7H14Cl3N•ClH
Molecular Weight: 255.03g/mol
Mol File: 1936-40-9.mol
Boiling point: 174 °C at 760 mmHg
Flash Point: 59 °C
Enthalpy of Vaporization: 41.03 kJ/mol
Vapour Pressure: 1.23 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of Novembichin (CAS NO.1936-40-9):
IUPAC Name: 2-chloro-N,N-bis(2-chloroethyl)propan-1-amine hydrochloride
Canonical SMILES: CC(CN(CCCl)CCCl)Cl.Cl
InChI: InChI=1S/C7H14Cl3N.ClH/c1-7(10)6-11(4-2-8)5-3-9;/h7H,2-6H2,1H3;1H
InChIKey: VNBAOSVONFJBKP-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | dni-mus:ast 30 mg/L | NEOLA4 Neoplasma. 22 (1975),105. | ||
| 2. | oms-mus:ast 30 mg/L | NEOLA4 Neoplasma. 22 (1975),105. | ||
| 3. | ipr-rat LD50:300 µg/kg | CPBTAL Chemical and Pharmaceutical Bulletin. 8 (1960),807. | ||
| 4. | scu-mus LDLo:25 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. PB158-507 . |
Safety Profile
Poison by intraperitoneal and subcutaneous routes. Mutation data reported. An anticancer agent. When heated to decomposition it emits toxic fumes of NOx and HCl.
Specification
Novembichin , its CAS NO. is 1936-40-9, the synonyms are 2-Chloro-N,N-bis(2-chloroethyl)-1-propylamine hydrochloride ; Bis(beta-chloroethyl)-beta-chloropropylamine hydrochloride ; Embichin 7 ; N,N-Bis(2-chloroethyl)-2-chloropropylamine hydrochloride ; 1-Propylamine, 2-chloro-N,N-bis(2-chloroethyl)-, hydrochloride .