Ethyl 5-Amino-1-benzylimidazole-4-carboxylate - CAS 68462-61-3
Catalog: |
BB033553 |
Product Name: |
Ethyl 5-Amino-1-benzylimidazole-4-carboxylate |
CAS: |
68462-61-3 |
Synonyms: |
5-amino-1-(phenylmethyl)-4-imidazolecarboxylic acid ethyl ester; ethyl 5-amino-1-benzylimidazole-4-carboxylate |
IUPAC Name: | ethyl 5-amino-1-benzylimidazole-4-carboxylate |
Description: | Ethyl 5-Amino-1-benzylimidazole-4-carboxylate (CAS# 68462-61-3) is a useful research chemical. |
Molecular Weight: | 245.28 |
Molecular Formula: | C13H15N3O2 |
Canonical SMILES: | CCOC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)N |
InChI: | InChI=1S/C13H15N3O2/c1-2-18-13(17)11-12(14)16(9-15-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8,14H2,1H3 |
InChI Key: | CJCXZTWYOFENDL-UHFFFAOYSA-N |
Boiling Point: | 443.9 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
MDL: | MFCD03406879 |
LogP: | 2.27150 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10174032-B2 | Heterocyclic compound classes for signaling modulation | 20140505 |
US-2015315207-A1 | Novel Heterocyclic Compound Classes for Signaling Modulation | 20140505 |
EP-2523561-A1 | DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b]PURIN-4(5H)-ONE AND METHODS OF USE THEREOF | 20091222 |
US-2012316176-A1 | DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF | 20091222 |
WO-2011079000-A1 | DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b]PURIN-4(5H)-ONE AND METHODS OF USE THEREOF | 20091222 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.116426730 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.116426730 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 70.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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