CAS No.141318-79-8,R-3,4-Diaminobutyric acid 2HCl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141318-79-8
Name:	R-3,4-Diaminobutyric acid 2HCl
Article Data:	6
Cas Database

Formula:	C₄H₁₂Cl₂N₂O₂
Molecular Weight:	191.057
Synonyms:	Butanoicacid, 3,4-diamino-, dihydrochloride, (R)- (9CI);
Boiling Point:	328.1 °C at 760 mmHg
Flash Point:	152.2 °C
PSA:	89.34000
LogP:	1.75170

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Specification

This chemical is called Butanoic acid, 3,4-diamino-, hydrochloride (1:2), (3R)-, and its systematic name is (3R)-3,4-diaminobutanoic acid dihydrochloride. With the molecular formula of C₄H₁₂Cl₂N₂O₂, its molecular weight is 191.06. The CAS registry number of this chemical is 141318-79-8.

Other characteristics of the Butanoic acid, 3,4-diamino-, hydrochloride (1:2), (3R)- can be summarised as followings: (1)ACD/LogP: -1.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5; (4)ACD/LogD (pH 7.4): -5; (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: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.78 Å²; (13)Flash Point: 152.2 °C; (14)Enthalpy of Vaporization: 62.71 kJ/mol; (15)Boiling Point: 328.1 °C at 760 mmHg; (16)Vapour Pressure: 3.83E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.Cl.O=C(O)C[C@@H](N)CN
2.InChI: InChI=1/C4H10N2O2.2ClH/c5-2-3(6)1-4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H/t3-;;/m1../s1
3.InChIKey: CYSOFTBXTQXELE-HWYNEVGZBL