Basic information
- CAS
107259-06-3- Standard SMILES
CC(C)(C)OC(=O)NC1(C=O)CC1- InChIKey
ACMHCEYCNRURST-UHFFFAOYSA-N- Molecular formula
- C9H15NO3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.10519334
Names & identifiers
- Preferred name
- (1-Formylcyclopropyl)carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(1-formylcyclopropyl)carbamate
- English name
- tert-Butyl (1-formylcyclopropyl)carbamate
- Molecular formula
- C9H15NO3
- Molecular weight
- 185.22
Names & synonyms
(1-formylcyclopropyl)carbamic acid tert-butyl esterRefChem:392216810-709-4107259-06-3tert-Butyl 1-formylcyclopropylcarbamateTERT-BUTYL (1-FORMYLCYCLOPROPYL)CARBAMATETert-butyl N-(1-formylcyclopropyl)carbamate(1-Formyl-cyclopropyl)-carbamic acid tert-butyl esterMFCD10697899DTXSID30438514tert-Butyl1-formylcyclopropylcarbamateAS-42014
Show more names
1-(Boc-amino)cyclopropanecarbaldehydetert-Butyl(l -formylcyclopropyl)carbamate1-((pivaloyloxy)amino)cyclopropanecarbaldehydetert-butyl N-(1-formylcyclopropyl)carbamate - [B81274]1-(tert-Butoxycarbonylamino)cyclopropanecarboxaldehydeCarbamic acid, N-(1-formylcyclopropyl)-, 1,1-dimethylethyl ester1-(tert-Butoxycarbonylamino)cyclopropanecarboxaldehyde (1-Formylcyclopropyl)carbamic acid tert-butyl ester
N-Boc-1-amino-1-cyclopropanecarboxaldehydeEN300-86099A1-435602-Methyl-2-propanyl (1-formylcyclopropyl)carbamateSCHEMBL571503SCHEMBL1904610ACMHCEYCNRURST-UHFFFAOYSA-NCarbamic acid, (1-formylcyclopropyl)-, 1,1-dimethylethyl ester
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 76.5 · 76.5-78.50℃
- Boiling point
- 280.7 · 280.7±19.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, stored under nitrogen
- form
- crystalline powder
- pka
- 10.88 · 10.88±0.20(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers81 total
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Related reactions
42 records
Compound notes
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