Basic information
- CAS
52320-87-3- Standard SMILES
CC(C)(NC(=O)N(CCCl)N=O)C(=O)O- InChIKey
MLZCGCGQWWRMMX-UHFFFAOYSA-N- Molecular formula
- C7H12ClN3O4
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.05163354
Names & identifiers
- Preferred name
- Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-
- IUPAC
- 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-methylpropanoic acid
- English name
- N-[[(2-Chloroethyl)nitrosoamino]carbonyl]-2-methylalanine
- Molecular formula
- C7H12ClN3O4
- Molecular weight
- 237.64
Names & synonyms
52320-87-3ALANINE, N-(((2-CHLOROETHYL)NITROSOAMINO)CARBONYL)-2-METHYL-NSC 171565N-((2-Chloroethyl)nitrosocarbamoyl)-2-methylalanineAlanine, N-((2-chloroethyl)nitrosocarbamoyl)-2-methyl-N-(((2-Chloroethyl)nitrosoamino)carbonyl)-2-methylalanineDTXSID20200343N-[[(2-Chloroethyl)nitrosoamino]carbonyl]-2-methylalanineAlanine, N-[[(2-chloroethyl)nitrosoamino]carbonyl]-2-methyl-RefChem:317981DTXCID201228342-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-methylpropanoic acid
Show more names
2-[[(2-Chloroethyl)nitrosocarbamoyl]amino]-2-methylpropionic acid2-[[N-(2-Chloroethyl)-N-nitrosocarbamoyl]amino]-2-methylpropionic acid
NSC-171565NSC171565J2PK656PNNCHEMBL12923DB-308853N-[(2-Chloroethyl)(nitroso)carbamoyl]-2-methylalanineN-[[(2-chloroethyl)nitrosoamino]carbonyl ]-2-methylalanine
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Density
- 1.418 · 1.418±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.383 · 2.383±0.10(predicted)
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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