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| CAS No.: | 126-85-2 |
|---|---|
| Name: | NITROMIN |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C5H11 Cl2 N O |
| Molecular Weight: | 172.054 |
| Synonyms: | Diethylamine,2,2'-dichloro-N-methyl-, N-oxide (6CI,8CI);2,2'-Dichloro-N-methyldiethylamine-N-oxide; HN2 Oxide mustard; MBAO;Mechlorethamine oxide; Methylbis(b-chloroethyl)amine N-oxide; NMO; NSC 141949; Nitrogen mustard N-oxide;Nitrogen mustard oxide; Oxy-NH2 |
| Density: | g/cm3 |
| Melting Point: | -60oC |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by intravenous and intraperitoneal routes. Experimental reproductive effects. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx. |
| PSA: | 29.43000 |
| LogP: | 1.42930 |
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Chemistry
Product Name: 2-Chloro-N-(2-chloroethyl)-N-methylethanamine-N-oxide (CAS NO.126-85-2)
Molecular Formula: C5H11Cl2NO
Molecular Weight: 172.07g/mol
Mol File: 126-85-2.mol
XLogP3-AA: 0.9
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: C[N+](CCCl)(CCCl)[O-]
InChI: InChI=1S/C5H11Cl2NO/c1-8(9,4-2-6)5-3-7/h2-5H2,1H3
InChIKey: AFLXUQUGROGEFA-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-esc 50 µg/plate | TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. 44 (1985),96. | ||
| 2. | dlt-mus-ipr-20 mg/kg | MUREAV Mutation Research. 26 (1974),285. | ||
| 3. | ipr-rat TDLo:20 mg/kg (male 1D pre):REP | 85GUAJ Antifertility Compounds in the Male and Female Jackson, H.,Springfield, IL.: Charles C. Thomas,1966,37. | ||
| 4. | ivn-rat TDLo:218 mg/kg/1Y-I:CAR | ARZNAD Arzneimittel-Forschung. Drug Research. 20 (1970),1461. | ||
| 5. | skn-mus TDLo:204 g/kg/17 W-I:ETA | GANNA2 Gann. Japanese Journal of Cancer Research. 57 (1966),295. | ||
| 6. | ipr-rat LD50:50 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 11 (1961),143. | ||
| 7. | ipr-mus LD50:100 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-507 . | ||
| 8. | ivn-mus LD50:80 mg/kg | JAJAAA Journal of Antibiotics, Series A. 13 (1960),19. |
Safety Profile
Poison by intravenous and intraperitoneal routes. Experimental reproductive effects. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.
Specification
2-Chloro-N-(2-chloroethyl)-N-methylethanamine-N-oxide ,its CAS NO. is 126-85-2,the synonyms is 2,2'-Dichloro-N-methyldiethylamine-N-oxide ; Diethylamine, 2,2'-dichloro-N-methyl-, oxide ; HN2 amine oxide ; HN2 oxide mustard ; Mechlorethamine oxide ; Methyl-bis(beta-chloroethyl)amine oxide ; Methyl-dichlorethylamine oxide ; Methylbis(beta-chloroethyl)amine N-oxide ; N-Methyl-di-2-chloroethylamine-N-oxide ; N-Oxyd-lost ; N-Oxyd-mustard ; NSC 10107 ; Nitrogen mustard (HN-2), N-oxide ; Nitrogen mustard N-oxide ; Nitrogen mustard amine oxide ; Nitrogen mustard oxide ; Oxy-NH2 .