 Home > Encyclopedia > trans-Urocanic acid

trans-Urocanic acid

trans-Urocanic acid structure

CAS No:
3465-72-3
Formula:
C6H6N2O2
Chemical Name:
trans-Urocanic acid
Synonyms:
2-Propenoic acid,3-(1H-imidazol-5-yl)-,(2E)-;Imidazole-4-acrylic acid,(E)-;2-Propenoic acid,3-(1H-imidazol-4-yl)-,(E)-;2-Propenoic acid,3-(1H-imidazol-4-yl)-,(2E)-;Urocanic acid,trans-;(2E)-3-(1H-Imidazol-5-yl)-2-propenoic acid;trans-Urocanic acid;(E)-3-(4-Imidazolyl)acrylic acid;(E)-Urocanic acid;(E)-3-(Imidazol-4-yl)-2-propenoic acid;(E)-3-(1H-Imidazol-4-yl)-2-propenoic acid;7699-36-7;739340-22-8;926068-43-1
Categories:
Chemical Reagents > Organic Reagents

Description

ChEBI: The trans-isomer of urocanic acid.

Solid

Urocanic acid is an alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine. It has a role as a chromophore and a human metabolite. It is an alpha,beta-unsaturated monocarboxylic acid and a member of imidazoles. It is a conjugate acid of a urocanate.|4-Imidazoleacrylic acid.

trans-Urocanic acid Basic Attributes

Molecular Weight：

138.126

Exact Mass：

138.12

EC Number：

203-258-4

UNII：

G8D26XJJ3B

NSC Number：

407934|66357

DSSTox ID：

DTXSID5041148

HScode：

2933290090

Characteristics

PSA：

65.98000

XLogP3：

0.01

Appearance：

Solid

Density：

1.4±0.1 g/cm3

Melting Point：

168-172 °C

Boiling Point：

456.9±20.0 °C at 760 mmHg

Flash Point：

230.1±21.8 °C

Refractive Index：

1.674

Water Solubility：

1.5 mg/mL at 17 °C

Collision Cross Section：

134.1 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|118.78 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|137.54 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|124.06 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|134.6 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|120.9 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|121.3 Å² [M-H]-

Drug Information

MeSH Entry Terms：

Acid, Glyoxalinylacrylic

trans-Urocanic acid Use and Manufacturing

Manufacturing Info：

2-Propenoic acid, 3-(1H-imidazol-5-yl)-: ACTIVE

Computed Properties

Molecular Weight:138.12
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:138.042927438
Monoisotopic Mass:138.042927438
Topological Polar Surface Area:66
Heavy Atom Count:10
Complexity:156
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of trans-Urocanic acid

Compound Net Biotechnology Inc. Contact Supplier

CN
2 YRS

Business licensed Certified factory

Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

3465-72-3 (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid

CAS No.: 3465-72-3

Grade: Industrial Grade

Content: 95%

Inquiry