(2S)-4-Carbamoyl-2-[(2-nitrophenyl)sulfanylamino]butanoic acid; N-cyclohexylcyclohexanamine supplier

Name
N-O-NPS-L-GLUTAMINE, DICYCLOHEXYLAMMONIUM SALT
EINECS 264-704-1
CAS No. 64143-47-1
Density
Solubility
Melting Point
Formula C₂₃H₃₆N₄O₅S
Boiling Point 615.9 °C at 760 mmHg
Molecular Weight 480.62
Flash Point 326.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N²-[(2-Nitrophenyl)sulfanyl]-L-glutamine - N-cyclohexylcyclohexanamine (1:1);
PSA 175.57000
LogP 6.15690

(2S)-4-Carbamoyl-2-[(2-nitrophenyl)sulfanylamino]butanoic acid; N-cyclohexylcyclohexanamine Specification

The (2S)-4-Carbamoyl-2-[(2-nitrophenyl)sulfanylamino]butanoic acid; N-cyclohexylcyclohexanamine, with the CAS registry number 64143-47-1, is also known as N²-[(2-Nitrophenyl)sulfanyl]-L-glutamine - N-cyclohexylcyclohexanamine (1:1). Its EINECS registry number is 264-704-1. This chemical's molecular formula is C₂₃H₃₆N₄O₅S and molecular weight is 480.62. What's more, its IUPAC name is (2S)-5-Amino-2-[(2-nitrophenyl)sulfanylamino]-5-oxopentanoic acid; N-cyclohexylcyclohexanamine.

Physical properties about (2S)-4-Carbamoyl-2-[(2-nitrophenyl)sulfanylamino]butanoic acid; N-cyclohexylcyclohexanamine are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.32; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 120.97 Å²; (13)Flash Point: 326.3 °C; (14)Enthalpy of Vaporization: 96.05 kJ/mol; (15)Boiling Point: 615.9 °C at 760 mmHg; (16)Vapour Pressure: 5E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccccc1SN[C@H](C(=O)O)CCC(=O)N.N(C1CCCCC1)C2CCCCC2
(2) InChI: InChI=1/C12H23N.C11H13N3O5S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;12-10(15)6-5-7(11(16)17)13-20-9-4-2-1-3-8(9)14(18)19/h11-13H,1-10H2;1-4,7,13H,5-6H2,(H2,12,15)(H,16,17)/t;7-/m.0/s1
(3) InChIKey: SBUVWBDHTGFKRT-ZLTKDMPEBA

Product Name

N-O-NPS-L-GLUTAMINE, DICYCLOHEXYLAMMONIUM SALT

(2S)-4-Carbamoyl-2-[(2-nitrophenyl)sulfanylamino]butanoic acid; N-cyclohexylcyclohexanamine Specification

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