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3,4-Dihydroxybenzylamine hydrobromide

CAT: 0926-FD66310-01Size: 2000 mgDry Ice: NoHazardous: No
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CAT#:0926-FD66310-01Size:2000 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16290-26-9
MDL Number
MFCD00012859
Smiles
C1=CC (=C (C=C1CN) O) O.Br
Molecular Formula
C7H10BrNO2
Molecular Weight
220.06 g/mol
Controlled
No

Chemical Information

1,2-Benzenediol, 4-(aminomethyl)-, hydrobromide (1:1)
CAS Number16290-26-9
PubChem CID13343562
IUPAC Name4-(aminomethyl)benzene-1,2-diol;hydrobromide
Molecular FormulaC7H10BrNO2
Molecular Weight220.06
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity108
SMILES
C1=CC(=C(C=C1CN)O)O.Br
InChI
InChI=1S/C7H9NO2.BrH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,9-10H,4,8H2;1H
InChIKey
BVFZTXFCZAXSHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Benzenediol, 4-(aminomethyl)-, hydrobromide (1:1)
CAS: 16290-26-9
CID: 13343562
Formula: C7H10BrNO2
MW: 220.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.06
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass218.98949
Monoisotopic Mass218.98949
Topological Polar Surface Area66.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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