N-[(2-Nitrophenyl)sulfanyl]-L-alanine - N-cyclohexylcyclohexanamine (1:1)
[CAS# 7675-46-9]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Alanine derivatives
• Name: N-[(2-Nitrophenyl)sulfanyl]-L-alanine - N-cyclohexylcyclohexanamine (1:1)
• Synonyms: N-[(2-nitrophenyl)thio]-L-alanine, compound with dicyclohexylamine (1:1); N-2-Nitrophenylsulfenyl-L-alanine Dicyclohexylammonium Salt; N-2-NITROPHENYLSULFENYL-L-ALANINEDICYCLOHEXYLAMMONIUMSALT
• Molecular Formula: C₂₁H₃₃N₃O₄S
• Molecular Weight: 423.57
• CAS Registry Number: 7675-46-9
• EINECS: 231-650-5
• SMILES: [O-][N+](=O)c1ccccc1SN[C@@H](C)C(O)=O.C1CCCCC1NC2CCCCC2
• InChI: 1S/C12H23N.C9H10N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(9(12)13)10-16-8-5-3-2-4-7(8)11(14)15/h11-13H,1-10H2;2-6,10H,1H3,(H,12,13)/t;6-/m.0/s1
• InChIKey: LGTGUPPUIQQLBP-ZCMDIHMWSA-N

Properties

• Melting point: 176°C (Expl.)
• Boiling point: 593.5°C at 760 mmHg (Cal.)
• Flash point: 312.7°C (Cal.)