Basic information
- CAS
1398534-55-8- Standard SMILES
CC(C)(C)OC(=O)NCc1cccc(-c2nn[nH]n2)c1- InChIKey
KTUVOGMHFNKUJR-UHFFFAOYSA-N- Molecular formula
- C13H17N5O2
- Average molar mass
- 275.31 g/mol
- Monoisotopic mass
- 275.1382248
Names & identifiers
- Preferred name
- 1-(Boc-aminomethyl)-3-(5-tetrazolyl)benzene
- IUPAC
- tert-butyl N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]carbamate
- English name
- 1-(Boc-aMinoMethyl)-3-(5-tetrazolyl)benzene
- Molecular formula
- C13H17N5O2
- Molecular weight
- 275.31
Names & synonyms
1-(Boc-aminomethyl)-3-(5-tetrazolyl)benzene1398534-55-8MFCD22423157tert-butyl N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]carbamateCarbamic acid, N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-, 1,1-dimethylethyl estertert-butyl (3-(1H-tetrazol-5-yl)benzyl)carbamateAKOS025404348AS-32552SY021217CS-0445700F387533F769268
Show more names
_x005f\r1-(Boc-aminomethyl)-3-(5-tetrazolyl)benzene
Tert-butyl (3-(2H-tetrazol-5-yl)benzyl)carbamateTERT-BUTYL N-{[3-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL]METHYL}CARBAMATE
Database identifiers
- CAS
1398534-55-8- PubChem CID
- 74788496
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers4 total
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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