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Butanoic acid, 3,4-diamino-, hydrochloride (1:2), (3R)-

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Name

Butanoic acid, 3,4-diamino-, hydrochloride (1:2), (3R)-

EINECS N/A
CAS No. 141318-79-8 Density N/A
PSA 89.34000 LogP 1.75170
Solubility N/A Melting Point N/A
Formula C4H12Cl2N2O2 Boiling Point 328.1 °C at 760 mmHg
Molecular Weight 191.057 Flash Point 152.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 141318-79-8 (R-3,4-Diaminobutyric acid 2HCl) Hazard Symbols N/A
Synonyms

Butanoicacid, 3,4-diamino-, dihydrochloride, (R)- (9CI);

Article Data 6

Butanoic acid, 3,4-diamino-, hydrochloride (1:2), (3R)- 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

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