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4-Aminophenyl methylcarbinol

CAT: 0926-FA137783-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FA137783-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14572-89-5
Synonyms
1- (4-Aminophenyl) ethanol
Smiles
CC (C1=CC=C (C=C1) N) O
Controlled
No

Chemical Information

4-Amino-alpha-methylbenzenemethanol
CAS Number14572-89-5
PubChem CID85753
IUPAC Name1-(4-aminophenyl)ethanol
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP0.8
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
CC(C1=CC=C(C=C1)N)O
InChI
InChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3
InChIKey
JDEYBJHOTWGYFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-alpha-methylbenzenemethanol
CAS: 14572-89-5
CID: 85753
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass137.084063974
Monoisotopic Mass137.084063974
Topological Polar Surface Area46.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.4
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