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1236268-05-5 | Butanoic acid, 2,4-diamino-, hydrobromide (1:1)
CAS No: 1236268-05-5 Catalog No: AG000KW1 MDL No:
Product Description
Catalog Number:
AG000KW1
Chemical Name:
Butanoic acid, 2,4-diamino-, hydrobromide (1:1)
CAS Number:
1236268-05-5
Molecular Formula:
C4H11BrN2O2
Molecular Weight:
199.0463
IUPAC Name:
2,3-diaminobutanoic acid;hydrobromide
InChI:
InChI=1S/C4H10N2O2.BrH/c1-2(5)3(6)4(7)8;/h2-3H,5-6H2,1H3,(H,7,8);1H
InChI Key:
KFKONZJZHVBCIQ-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)CCN.Br
Properties
Complexity:
94
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
199.048g/mol
Monoisotopic Mass:
198g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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