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141318-80-1 | Butanoic acid, 3,4-diamino-, dihydrochloride, (S)- (9CI)
CAS No: 141318-80-1 Catalog No: AG001G7O MDL No:MFCD09842813
Product Description
Catalog Number:
AG001G7O
Chemical Name:
Butanoic acid, 3,4-diamino-, dihydrochloride, (S)- (9CI)
CAS Number:
141318-80-1
Molecular Formula:
C4H12Cl2N2O2
Molecular Weight:
191.0563
MDL Number:
MFCD09842813
IUPAC Name:
(3S)-3,4-diaminobutanoic acid;dihydrochloride
InChI:
InChI=1S/C4H10N2O2.2ClH/c5-2-3(6)1-4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H/t3-;;/m0../s1
InChI Key:
CYSOFTBXTQXELE-QTNFYWBSSA-N
SMILES:
NC[C@H](CC(=O)O)N.Cl.Cl
Properties
Complexity:
84.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.028g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
191.052g/mol
Monoisotopic Mass:
190.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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