Basic information
- CAS
21743-62-4- Standard SMILES
Nc1nnnn1CC(=O)O- InChIKey
ZCQDUSMMXXCYAS-UHFFFAOYSA-N- Molecular formula
- C3H5N5O2
- Average molar mass
- 143.1 g/mol
- Monoisotopic mass
- 143.04432442
Names & identifiers
- Preferred name
- (5-amino-1H-tetrazol-1-yl)acetic acid
- IUPAC
- 2-(5-aminotetrazol-1-yl)acetic acid
- English name
- (5-Amino-1H-tetrazol-1-yl)acetic acid
- Molecular formula
- C3H5N5O2
- Molecular weight
- 143.1
Names & synonyms
(5-amino-1H-tetrazol-1-yl)acetic acid21743-62-42-(5-aminotetrazol-1-yl)acetic acidMFCD001876872-(5-amino-1H-1,2,3,4-tetrazol-1-yl)acetic acid2-(5-amino-1,2,3,4-tetraazolyl)acetic acid2-(5-Imino-2,5-dihydro-1h-tetrazol-1-yl)acetic acid1H-Tetrazole-1-acetic acid, 5-amino-Oprea1_073907Oprea1_374722SCHEMBL9550065-aminotetrazole-1-acetic acid
Show more names
2-(5-amino-1-tetrazolyl)acetic acid2-(5-amino-1,2,3,4-tetrazol-1-yl)ethanoic acid(5-amino-1H-tetrazol-1-yl)acetic acid(SALTDATA: FREE)
DTXSID70340748ZCQDUSMMXXCYAS-UHFFFAOYSA-NALBB-005590SBB000091STK501689AKOS000321265AT34565SS-4104
Database identifiers
- CAS
21743-62-4- PubChem CID
- 567014
- DTXSID
DTXSID70340748- Nikkaji
- J2.609.050D
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 486.1 · 486.1±47.0 °C(Predicted)
- Density
- 2.09 · 2.09±0.1 g/cm3(Predicted)
- pka
- 2.62 · 2.62±0.10(Predicted)
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Chemistry & industry
Suppliers3 total
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
上海市凯瑜琳医药科技有限公司021-18721936-595 18721936595 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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