Basic information
- Standard SMILES
Nc1nc[nH]c1C(=O)O- InChIKey
PWCLNQLPYQVWAB-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.0381764
Overview
5-aminoimidazole-4-carboxylic acid is an imidazole-4-carboxylic acid compound having an amino substituent at the 5-position. It is an aminoimidazole and an imidazole-4-carboxylic acid.
Names & identifiers
- Preferred name
- 5-amino-1H-imidazole-4-carboxylic acid
- IUPAC
- 4-amino-1H-imidazole-5-carboxylic acid
- English name
- 5-AMINO-1H-IMIDAZOLE-4-CARBOXYLIC ACID
- Molecular formula
- C4H5N3O2
- Molecular weight
- 127.1
Names & synonyms
5-amino-1H-imidazole-4-carboxylic acid4919-04-45-aminoimidazole-4-carboxylic acid4-Amino-5-imidazolecarboxylic acidCHEBI:28280DTXSID20274261RefChem:1072612DTXCID502257414-amino-1H-imidazole-5-carboxylic acid5-amino-4-imidazole carboxylateMFCD099097575-AMINO-1H-IMIDAZOLE-4-CARBOXYLICACID
Show more names
Temozolomide Impurity 9Xanthorrhizol Impurity 4Temozolomide Impurity 181H-Imidazole-4-carboxylic acid, 5-amino-4-Amino-1H-imidazole-5-carboxylic acid hydrochloride
C05516SCHEMBL71570SCHEMBL1013404-aminoimidazole-5-carboxylate5-aminoimidazole-4-carboxylateorb3179853SCHEMBL3256524SCHEMBL7116589
Database identifiers
- CAS
4919-04-4- PubChem CID
- 117
- DTXSID
DTXSID20274261- ChEBI
CHEBI:28280- Nikkaji
- J2.361.602E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 580.6 · 580.6±35.0 °C(Predicted)
- Density
- 1.677 · 1.677±0.06 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers21 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
山东集润生物医药科技有限公司0539-0539-8613587 17661611089 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
湖北摩科生物科技有限公司18576690171 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
Guangzhou Tosun Pharmaceutical Ltd+86-020-61855200-902 +86-18124244216 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Additional notes
DefinitionChEBI: An imidazole-4-carboxylic acid compound having an amino substituent at the 5-position.
Related reactions
0 records
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Linked notes
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