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137024-33-0 | 1-Butanamine, N,N-dibutyl-, hydrate (1:1)
CAS No: 137024-33-0 Catalog No: AG0012Q8 MDL No:
Product Description
Catalog Number:
AG0012Q8
Chemical Name:
1-Butanamine, N,N-dibutyl-, hydrate (1:1)
CAS Number:
137024-33-0
Molecular Formula:
C12H29NO
Molecular Weight:
203.3648
IUPAC Name:
N,N-dibutylbutan-1-amine;hydrate
InChI:
InChI=1S/C12H27N.H2O/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H2
InChI Key:
NVTNQIBQPLGHGE-UHFFFAOYSA-N
SMILES:
CCCCN(CCCC)CCCC.O
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.225g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.37g/mol
Monoisotopic Mass:
203.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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