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Basic Information
CAS No.: 7675-53-8
Name: N-O-NITROPHENYLSULFENYL-L-PROLINE DI(CYCLOHEXYL)AMMONIUM SALT
Molecular Structure:
Molecular Structure of 7675-53-8 (N-O-NITROPHENYLSULFENYL-L-PROLINE DI(CYCLOHEXYL)AMMONIUM SALT)
Formula: C23H35N3O4S
Molecular Weight: 449.61
Synonyms: N-Cyclohexylcyclohexanamine; (2S)-1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxylic acid;
EINECS: 231-653-1
Boiling Point: 623.1 °C at 760 mmHg
Flash Point: 330.6 °C
PSA: 123.69000
LogP: 6.24430
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  • 1-((2-Nitrophenyl)thio)-L-proline, compound with dicyclohexylamine(1:1)

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    7675-53-8

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

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    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production as well as custom synthesis for chemical products and chemical business project. We are supp

    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production in China for chemicals cus

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    7675-53-8

    FT-0772385

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    High Quality Best Price Storage:Store in dry, dark and ventilated place Application:Chemical Synthesis Intermediate

    Finetech Industry Limited is a company in England,which specializing in developing, manufacturing and marketing fine organic compounds and intermediates for the fine chemical and p

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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