1H-Pyrrole-3-carbonitrile, 2-amino-1-(phenylmethyl)-


Chemical Name: 1H-Pyrrole-3-carbonitrile, 2-amino-1-(phenylmethyl)-
CAS Number: 753478-33-0
Product Number: AG005C6Y(AGN-PC-00855B)
Synonyms:
MDL No:
Molecular Formula: C12H11N3
Molecular Weight: 197.2358

Identification/Properties


Properties
BP:
395.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
197.241g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
197.095g/mol
Monoisotopic Mass:
197.095g/mol
Topological Polar Surface Area:
54.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
249
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3439
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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