tert-Butyl (2H-tetrazol-5-ylmethyl)carbamate
Basic information
- CAS
115894-70-7- Standard SMILES
CC(C)(C)OC(=O)NCc1nn[nH]n1- InChIKey
YZFOPEDXXMVAMD-UHFFFAOYSA-N- Molecular formula
- C7H13N5O2
- Average molar mass
- 199.21 g/mol
- Monoisotopic mass
- 199.10692467
Names & identifiers
- Preferred name
- tert-Butyl (2H-tetrazol-5-ylmethyl)carbamate
- IUPAC
- tert-butyl N-(2H-tetrazol-5-ylmethyl)carbamate
- English name
- Carbamic acid, (1H-tetrazol-5-ylmethyl)-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C7H13N5O2
- Molecular weight
- 199.21
Names & synonyms
115894-70-7tert-Butyl (2H-tetrazol-5-ylmethyl)carbamateCarbamic acid, (1H-tetrazol-5-ylmethyl)-, 1,1-dimethylethyl ester (9CI)tert-butyl N-(2H-tetrazol-5-ylmethyl)carbamateMFCD26399456tert-butyl N-[(1H-1,2,3,4-tetrazol-5-yl)methyl]carbamate(2H-Tetrazol-5-ylmethyl)-carbamic acid tert-butyl estertert-butyl N-[(2H-1,2,3,4-tetrazol-5-yl)methyl]carbamatecarbamic acid, (2H-tetrazol-5-ylmethyl)-, 1,1-dimethylethyl estertert-Butyl 1H-tetraazol-5-ylmethylcarbamatetert-Butyl ((2H-tetrazol-5-yl)methyl)carbamateSCHEMBL1304462
Show more names
Carbamic acid, N-(2H-tetrazol-5-ylmethyl)-, 1,1-dimethylethyl ester
SCHEMBL8739775YZFOPEDXXMVAMD-UHFFFAOYSA-NALBB-027958AKOS011125241AKOS025116458LS-09704DB-335910tert-Butyl(2H-tetrazol-5-ylmethyl)carbamate
Database identifiers
- CAS
115894-70-7- PubChem CID
- 20043629
- EC Number
- 192-770-0
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 112 · 112-114 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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