(S)-3-Amino-4-(4-pyridyl)butyric acid dihydrochloride supplier

Name
(S)-3-AMINO-4-(4-PYRIDYL)-BUTYRIC ACID-2HCL
EINECS
CAS No. 270065-68-4
Density 1.224±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C₉H₁₂N₂O₂^.2(HCl)
Boiling Point 365.4 °C at 760 mmHg
Molecular Weight 253.13
Flash Point 174.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-3-Amino-4-(4-pyridyl)butanoicacid;(3S)-3-amino-4-pyridin-4-ylbutanoic acid dihydrochloride;(S)-3-Amino-4-(4-pyridyl)butyric acid dihydrochloride;(S)-3-amino-4-(4-pyridyl)-butyric acid-2HCl;4-pyridinebutanoic acid, β-amino-, (betaS)-, hydrochloride (1:2);
PSA 76.21000
LogP 2.73040

(S)-3-Amino-4-(4-pyridyl)butyric acid dihydrochloride Specification

The (S)-3-Amino-4-(4-pyridyl)butyric acid dihydrochloride, with the CAS registry number 270065-68-4, has the systematic name of (3S)-3-amino-4-pyridin-4-ylbutanoic acid dihydrochloride. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C₉H₁₂N₂O₂^.2(HCl).

The characteristics of (S)-3-Amino-4-(4-pyridyl)butyric acid dihydrochloride are as followings: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.93; (4)ACD/LogD (pH 7.4): -2.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 42.43 Å²; (13)Flash Point: 174.8 °C; (14)Enthalpy of Vaporization: 64.53 kJ/mol; (15)Boiling Point: 365.4 °C at 760 mmHg; (16)Vapour Pressure: 5.58E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.Cl.O=C(O)C[C@@H](N)Cc1ccncc1
(2)InChI: InChI=1/C9H12N2O2.2ClH/c10-8(6-9(12)13)5-7-1-3-11-4-2-7;;/h1-4,8H,5-6,10H2,(H,12,13);2*1H/t8-;;/m0../s1
(3)InChIKey: MZNNPQGCGVXSQK-JZGIKJSDBK

Product Name

(S)-3-AMINO-4-(4-PYRIDYL)-BUTYRIC ACID-2HCL

(S)-3-Amino-4-(4-pyridyl)butyric acid dihydrochloride Specification

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