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2-Aminobenzhydrol

CAT: 0926-FA70205-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FA70205-01Size:2 g
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CAS Number
13209-38-6
MDL Number
MFCD00017097
Smiles
C1=CC=C (C=C1) C (C2=CC=CC=C2N) O
Molecular Formula
C13H13NO
Molecular Weight
199.25 g/mol
Controlled
No

Chemical Information

2-Aminobenzhydrol
CAS Number13209-38-6
PubChem CID270810
IUPAC Name(2-aminophenyl)-phenylmethanol
Molecular FormulaC13H13NO
Molecular Weight199.25
XLogP2.6
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity189
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2N)O
InChI
InChI=1S/C13H13NO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H,14H2
InChIKey
NAWYZLGDGZTAPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Aminobenzhydrol
CAS: 13209-38-6
CID: 270810
Formula: C13H13NO
MW: 199.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight199.25
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass199.099714038
Monoisotopic Mass199.099714038
Topological Polar Surface Area46.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes