1-((2-Nitrophenyl)thio)-L-proline, compound with dicyclohexylamine(1:1) supplier

Name
N-O-NITROPHENYLSULFENYL-L-PROLINE DI(CYCLOHEXYL)AMMONIUM SALT
EINECS 231-653-1
CAS No. 7675-53-8
Density
Solubility
Melting Point
Formula C₂₃H₃₅N₃O₄S
Boiling Point 623.1 °C at 760 mmHg
Molecular Weight 449.61
Flash Point 330.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Cyclohexylcyclohexanamine; (2S)-1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxylic acid;
PSA 123.69000
LogP 6.24430

1-((2-Nitrophenyl)thio)-L-proline, compound with dicyclohexylamine(1:1) Specification

The 1-((2-Nitrophenyl)thio)-L-proline, compound with dicyclohexylamine(1:1), with the CAS registry number 7675-53-8, is also known as N-O-Nitrophenylsulfenyl-l-proline di(cyclohexyl)ammonium salt. It belongs to the product categories of Amino Acids; I - Z; Modified Amino Acids. Its EINECS registry number is 231-653-1. This chemical's molecular formula is C₂₃H₃₅N₃O₄S and molecular weight is 449.61. What's more, its systematic name is called N-Cyclohexylcyclohexanamine; (2S)-1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxylic acid.

Physical properties about 1-((2-Nitrophenyl)thio)-L-proline, compound with dicyclohexylamine(1:1) are: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.79; (5)#H bond acceptors: 7; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 123.69 Å²; (9)Flash Point: 330.6 °C; (10)Enthalpy of Vaporization: 97.02 kJ/mol; (11)Boiling Point: 623.1 °C at 760 mmHg; (12)Vapour Pressure: 2.18E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccccc2SN1CCC[C@H]1C(O)=O.C1CCCCC1NC2CCCCC2
(2) InChI: InChI=1/C12H23N.C11H12N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;14-11(15)9-5-3-7-12(9)18-10-6-2-1-4-8(10)13(16)17/h11-13H,1-10H2;1-2,4,6,9H,3,5,7H2,(H,14,15)/t;9-/m.0/s1
(3) InChIKey: CRIOJTHVCCENRP-NPULLEENBR

Product Name

N-O-NITROPHENYLSULFENYL-L-PROLINE DI(CYCLOHEXYL)AMMONIUM SALT

1-((2-Nitrophenyl)thio)-L-proline, compound with dicyclohexylamine(1:1) Specification

Related Products

Hot Products