Basic information
- CAS
1018446-95-1- Standard SMILES
CC(C)(C)OC(=O)n1cc(N)cn1- InChIKey
FIBAJOZIOKKYHC-UHFFFAOYSA-N- Molecular formula
- C8H13N3O2
- Average molar mass
- 183.21 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-amino-1H-pyrazole-1-carboxylate
- IUPAC
- tert-butyl 4-aminopyrazole-1-carboxylate
- English name
- tert-butyl 4-amino-1H-pyrazole-1-carboxylate
- Molecular formula
- C8H13N3O2
- Molecular weight
- 183.21
Names & synonyms
tert-butyl 4-amino-1H-pyrazole-1-carboxylate1018446-95-1RefChem:893920819-367-0tert-butyl 4-aminopyrazole-1-carboxylateMFCD206970381H-Pyrazole-1-carboxylic acid, 4-amino-, 1,1-dimethylethyl ester1-Boc-4-aminopyrazole4-amino-pyrazole-1-carboxylic acid tert-butyl ester4-Amino-pyrazole-1-carboxylic acid tert-butyl ester; tert-Butyl 4-amino-1H-pyrazole-1-carboxylatetert-Butyl 4-amino-1H-pyr1-Boc-4-amino-1H-pyrazole
Show more names
tert-Butyl 4-amino-1H-pyrazol-1-carboxylatetert-butyl 4-amino-1H-pyrazole-1-carboxylate - [B81113]
SCHEMBL671541CHEMBL4558875FIBAJOZIOKKYHC-UHFFFAOYSA-NTQB44695AKOS024627762BS-13879DA-16321SY100235
Database identifiers
- CAS
1018446-95-1- PubChem CID
- 59587648
- ChEMBL
CHEMBL4558875- EC Number
- 819-367-0
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 306.7 · 306.7±34.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 2.36 · 2.36±0.11(Predicted)
- Appearance
- Brown to reddish brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers43 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凛南医药科技有限公司15900633975;13262632028
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
19 records
Compound notes
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