Basic information
- CAS
2241129-41-7- Standard SMILES
CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1n1cc(CN)nn1- InChIKey
HVLQVLXFWVUAAY-MWLCHTKSSA-N- Molecular formula
- C13H23N5O3
- Average molar mass
- 297.35 g/mol
- Monoisotopic mass
- 297.18008961
Names & identifiers
- Preferred name
- rac-tert-butyl N-{[(3R,4R)-4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]oxolan-3-yl]methyl}carbamate
- IUPAC
- tert-butyl N-[[(3S,4S)-4-[4-(aminomethyl)triazol-1-yl]oxolan-3-yl]methyl]carbamate
Names & synonyms
2241129-41-7rac-tert-butyl N-{[(3R,4R)-4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]oxolan-3-yl]methyl}carbamaterac-tert-butylN-{[(3R,4R)-4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]oxolan-3-yl]methyl}carbamate,transEN300-6477317Tert-butyl N-[[(3S,4S)-4-[4-(aminomethyl)triazol-1-yl]oxolan-3-yl]methyl]carbamate
Database identifiers
- CAS
2241129-41-7- PubChem CID
- 138039733
- EC Number
- 196-709-9
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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