Basic information
- CAS
675605-47-7- Standard SMILES
CC(C)(C)OC(=O)NCC#CCN- InChIKey
AVNMNRILESBVDD-UHFFFAOYSA-N- Molecular formula
- C9H16N2O2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.12117776
Names & identifiers
- Preferred name
- tert-butyl N-(4-aminobut-2-yn-1-yl)carbamate
- IUPAC
- tert-butyl N-(4-aminobut-2-ynyl)carbamate
- English name
- Carbamic acid, (4-amino-2-butynyl)-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C9H16N2O2
- Molecular weight
- 184.24
Names & synonyms
TERT-BUTYL N-(4-AMINOBUT-2-YN-1-YL)CARBAMATERefChem:896104872-886-4675605-47-7Carbamic acid, (4-amino-2-butynyl)-, 1,1-dimethylethyl ester (9CI)tert-butyl N-(4-aminobut-2-ynyl)carbamatetert-Butyl (4-aminobut-2-yn-1-yl)carbamateSCHEMBL2143910N1-Boc-2-butyne-1,4-diamineDTXSID50580988AVNMNRILESBVDD-UHFFFAOYSA-NMFCD20694702
Show more names
Carbamic acid, N-(4-amino-2-butyn-1-yl)-, 1,1-dimethylethyl ester
AKOS030572031SY301659EN300-3008004(4-Amino-but-2-ynyl)-carbamic acid tert-butyl esterCarbamic acid, (4-amino-2-butynyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
675605-47-7- PubChem CID
- 16005182
- DTXSID
DTXSID50580988- EC Number
- 872-886-4
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H335-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H315-H335-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers3 total
韶远科技（上海）有限公司4000665055 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
2 records
Compound notes
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