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| CAS No.: | 88530-32-9 |
|---|---|
| Name: | H-CYS(ACM)-NH2 HCL |
| Molecular Structure: | |
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| Formula: | C6H14ClN3O2S |
| Molecular Weight: | 227.71 |
| Synonyms: | (R)-3-(acetamidomethylthio)-2-aminopropanamide hydrochloride;(2R)-3-(acetamidomethylsulfanyl)-2-amino-propanamide hydrochloride;S-(Acetamidomethyl)-L-cysteinamide hydrochloride (1:1);Propanamide, 3-[[(acetylamino)methyl]thio]-2-amino-, (2R)-, hydrochloride (1:1); |
| Boiling Point: | 497.8 °C at 760 mmHg |
| Flash Point: | 254.9 °C |
| PSA: | 123.51000 |
| LogP: | 1.21930 |
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Specification
The H-cys(acm)-NH2.HCL, with the CAS registry number 88530-32-9, is also known as (R)-3-(acetamidomethylthio)-2-aminopropanamide hydrochloride. It belongs to the product categories of Amino Acids Derivatives; Cysteine [Cys, C]; Amino Acids and Derivatives; Amino hydrochloride. This chemical's molecular formula is C6H14ClN3O2S and molecular weight is 227.71. What's more, its systematic name is (2R)-3-(acetamidomethylsulfanyl)-2-amino-propanamide hydrochloride.
Physical properties of H-cys(acm)-NH2.HCL are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 5; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 123.51 Å2; (6)Flash Point: 254.9 °C; (7)Enthalpy of Vaporization: 78.04 kJ/mol; (8)Boiling Point: 497.8 °C at 760 mmHg; (9)Vapour Pressure: 2.74E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Cl.O=C(C)NCSC[C@H](N)C(N)=O
(2)InChI: InChI=1/C6H13N3O2S.ClH/c1-4(10)9-3-12-2-5(7)6(8)11;/h5H,2-3,7H2,1H3,(H2,8,11)(H,9,10);1H/t5-;/m0./s1
(3)InChIKey: ZRBPBPZOUBWCMM-JEDNCBNOBL