Benzenemethanamine, 2-(1H-pyrrol-1-yl)-


Chemical Name: Benzenemethanamine, 2-(1H-pyrrol-1-yl)-
CAS Number: 39243-88-4
Product Number: AG00BYR3(AGN-PC-0JV87Z)
Synonyms:
MDL No:
Molecular Formula: C11H12N2
Molecular Weight: 172.2264

Identification/Properties


Computed Properties
Molecular Weight:
172.231g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
172.1g/mol
Monoisotopic Mass:
172.1g/mol
Topological Polar Surface Area:
31A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
152
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#:
3259
Hazard Statements:
H315-H318-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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