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844882-20-8 | 1-(1H-IMIDAZOL-1-YL)BUTAN-2-AMINE
CAS No: 844882-20-8 Catalog No: AG004S0G MDL No:MFCD05856880
Product Description
Catalog Number:
AG004S0G
Chemical Name:
1-(1H-IMIDAZOL-1-YL)BUTAN-2-AMINE
CAS Number:
844882-20-8
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
MDL Number:
MFCD05856880
IUPAC Name:
1-imidazol-1-ylbutan-2-amine
InChI:
InChI=1S/C7H13N3/c1-2-7(8)5-10-4-3-9-6-10/h3-4,6-7H,2,5,8H2,1H3
InChI Key:
RFXAODSVTNXOQO-UHFFFAOYSA-N
SMILES:
CCC(Cn1cncc1)N
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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