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1227958-01-1 | 1H-Pyrrole-3-carbonitrile, 2-amino-5-butyl-4-methyl-
CAS No: 1227958-01-1 Catalog No: AG000JHK MDL No:MFCD22199253
Product Description
Catalog Number:
AG000JHK
Chemical Name:
1H-Pyrrole-3-carbonitrile, 2-amino-5-butyl-4-methyl-
CAS Number:
1227958-01-1
Molecular Formula:
C10H15N3
Molecular Weight:
177.2462
MDL Number:
MFCD22199253
IUPAC Name:
2-amino-5-butyl-4-methyl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C10H15N3/c1-3-4-5-9-7(2)8(6-11)10(12)13-9/h13H,3-5,12H2,1-2H3
InChI Key:
TXRRQGXSZLWHID-UHFFFAOYSA-N
SMILES:
CCCCc1[nH]c(c(c1C)C#N)N
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.127g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.251g/mol
Monoisotopic Mass:
177.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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