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102395-94-8 | 1-Butanamine, 3-methyl-, sulfate (2:1)
CAS No: 102395-94-8 Catalog No: AG0007CF MDL No:
Product Description
Catalog Number:
AG0007CF
Chemical Name:
1-Butanamine, 3-methyl-, sulfate (2:1)
CAS Number:
102395-94-8
Molecular Formula:
C10H28N2O4S
Molecular Weight:
272.4053
IUPAC Name:
3-methylbutan-1-amine;sulfuric acid
InChI:
InChI=1S/2C5H13N.H2O4S/c2*1-5(2)3-4-6;1-5(2,3)4/h2*5H,3-4,6H2,1-2H3;(H2,1,2,3,4)
InChI Key:
BHIHPZFEQAQAFU-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NCCC(C)C.NCCC(C)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.177g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
272.404g/mol
Monoisotopic Mass:
272.177g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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