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84540-63-6 | 1-Propanol, 2-methyl-,ammonium salt (9CI)
CAS No: 84540-63-6 Catalog No: AG004VHH MDL No:
Product Description
Catalog Number:
AG004VHH
Chemical Name:
1-Propanol, 2-methyl-,ammonium salt (9CI)
CAS Number:
84540-63-6
Molecular Formula:
C4H13NO
Molecular Weight:
91.1521
IUPAC Name:
azanium;2-methylpropan-1-olate
InChI:
InChI=1S/C4H9O.H3N/c1-4(2)3-5;/h4H,3H2,1-2H3;1H3/q-1;/p+1
InChI Key:
FNCUFEPNWRBJSS-UHFFFAOYSA-O
SMILES:
[O-]CC(C)C.[NH4+]
EC Number:
283-158-5
Properties
Complexity:
17.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
91.1g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
91.154g/mol
Monoisotopic Mass:
91.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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