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305-62-4 | Butanoic acid, 2,4-diamino-
CAS No: 305-62-4 Catalog No: AG0030DR MDL No:MFCD00025612
Product Description
Catalog Number:
AG0030DR
Chemical Name:
Butanoic acid, 2,4-diamino-
CAS Number:
305-62-4
Molecular Formula:
C4H10N2O2
Molecular Weight:
118.1344
MDL Number:
MFCD00025612
IUPAC Name:
2,4-diaminobutanoic acid
InChI:
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
InChI Key:
OGNSCSPNOLGXSM-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)CCN
EC Number:
206-166-2
Properties
Complexity:
84.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.074g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
118.136g/mol
Monoisotopic Mass:
118.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6
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