Products for Research Use Only
RegisterLogin

3-Carboxy Detomidine

CAT: 0572-TRC-C177915-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-C177915-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
115664-39-6
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cc1c(Cc2c[nH]cn2)cccc1C(=O)O
Molecular Formula
C12 H12 N2 O2
Molecular Weight
216.24
InChI
InChI=1S/C12H12N2O2/c1-8-9(5-10-6-13-7-14-10)3-2-4-11(8)12(15)16/h2-4,6-7H,5H2,1H3,(H,13,14)(H,15,16)
Additionnal Information
IUPAC name: 3-(1H-imidazol-4-ylmethyl)-2-methylbenzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-(1H-Imidazol-5-ylmethyl)-2-methylbenzoic acid
CAS Number115664-39-6
PubChem CID160414
IUPAC Name3-(1H-imidazol-5-ylmethyl)-2-methylbenzoic acid
Molecular FormulaC12H12N2O2
Molecular Weight216.24
XLogP1.9
Topological Polar Surface Area66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity257
SMILES
CC1=C(C=CC=C1C(=O)O)CC2=CN=CN2
InChI
InChI=1S/C12H12N2O2/c1-8-9(5-10-6-13-7-14-10)3-2-4-11(8)12(15)16/h2-4,6-7H,5H2,1H3,(H,13,14)(H,15,16)
InChIKey
UYLYCKVCJPJDEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1H-Imidazol-5-ylmethyl)-2-methylbenzoic acid
CAS: 115664-39-6
CID: 160414
Formula: C12H12N2O2
MW: 216.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.24
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass216.089877630
Monoisotopic Mass216.089877630
Topological Polar Surface Area66 Ų
Heavy Atom Count16
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-D297970-50MGDetomidine
TRC-D297970-100MGDetomidine
TRC-D297970-1GDetomidine
TRC-H825340-10MG3-Hydroxy Detomidine Hydrochloride
TRC-H825340-5MG3-Hydroxy Detomidine Hydrochloride
TRC-H825340-1MG3-Hydroxy Detomidine Hydrochloride
TRC-D297975-10MGDetomidine Hydrochloride
TRC-D297975-100MGDetomidine Hydrochloride
TRC-D297975-1GDetomidine Hydrochloride
TRC-H825343-50MG3-Hydroxy Detomidine-d4 Hydrochloride

Alternative Products

CatalogName
AR-D01530-013-Carboxy Detomidine
1604963-Carboxy Detomidine Methyl Ester
AR-D01541-013-Carboxy Detomidine-13C-15N2
1604973-Carboxy Detomidine Methyl Ester-15N2
AR-D01527-013-Hydroxy Detomidine
279076-013-Hydroxy detomidine hydrochloride
AR-D01525-013-Hydroxy Detomidine HCl
425900-013-Hydroxy Detomidine-d4 Hydrochloride
HY-146526S-013-Hydroxy detomidine-15N2, d2 (hydrochloride)
AR-D01526-013-Hydroxy Detomidine-15N2, d2 Hydrochloride

Popular Products