4-Amino-1-methylimidazole-2-carboxylic acid ethyl ester hydrochloride - CAS 180258-46-2
Catalog: |
BB013659 |
Product Name: |
4-Amino-1-methylimidazole-2-carboxylic acid ethyl ester hydrochloride |
CAS: |
180258-46-2 |
Synonyms: |
ethyl 4-amino-1-methyl-1H-imidazole-2-carboxylate hydrochloride; 4-Amino-1-methyl-1H-imidazole-2-carboxylic acid ethyl ester HCl; ethyl 4-amino-1-methylimidazole-2-carboxylate hydrochloride |
IUPAC Name: | ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride |
Description: | Used in the synthesis of polyamides containing imidazole and pyrrole amino acids. |
Molecular Weight: | 205.63 |
Molecular Formula: | C7H11N3O2·HCl |
Canonical SMILES: | CCOC(=O)C1=NC(=CN1C)N.Cl |
InChI: | InChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)6-9-5(8)4-10(6)2;/h4H,3,8H2,1-2H3;1H |
InChI Key: | CQRVNNMJJDJXPE-UHFFFAOYSA-N |
Purity: | ≥ 98 % |
Appearance: | White to greyish white solid |
Storage: | Store at 2-8 °C |
LogP: | 1.56220 |
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 |
WO-2020195889-A1 | Pyrrole imidazole poly(amide) production method | 20190328 |
CA-2996406-A1 | Piperidinobenzodiazepine compounds with anti proliferative activity | 20150821 |
EP-3337795-A1 | Piperidinobenzodiazepine compounds with anti proliferative activity | 20150821 |
JP-2018525405-A | Piperidinobenzodiazepine compounds with antiproliferative activity | 20150821 |
KR-20180043314-A | Piperidinobenzodiazepine compounds having antiproliferative activity | 20150821 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.0618043 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.0618043 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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