Basic information
- CAS
1503-98-6- Standard SMILES
NC(=O)C1CCC1- InChIKey
MFNYBOWJWGPXFM-UHFFFAOYSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Names & identifiers
- Preferred name
- Cyclobutanecarboxamide
- IUPAC
- cyclobutanecarboxamide
- English name
- Cyclobutanecarboxamide
- Molecular formula
- C5H9NO
- Molecular weight
- 99.13
Names & synonyms
cyclobutanecarboxamide1503-98-6DTXSID60361563RefChem:334916DTXCID20312612622-833-4MFCD00029076CS-D0904AKOS005362472AC-29431AS-12495SY026669
Show more names
cyclobutyl amideCyclobutylcarboxamideCyclobutanecarboxilic acidaMideCyclobutanecarboxylic acid amide
EN300-91936F1913-0022Z33546656AMY32785FT-0624151V5BQ5MTD53A809039SCHEMBL42237
Database identifiers
- CAS
1503-98-6- PubChem CID
- 1274476
- DTXSID
DTXSID60361563- UNII
- V5BQ5MTD53
- EC Number
- 622-833-4
- Nikkaji
- J2.884.304F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 86.1
Physicochemical properties
- Melting point
- 155 °C · 155 °C
- Boiling point
- 254.7 · 254.7±7.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 16.74 · 16.74±0.20(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C5H9NO/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H2,6,7)
- InChIKey
- MFNYBOWJWGPXFM-UHFFFAOYSA-N
- SMILES
- C1(C(N)=O)CCC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- HazardClass
- IRRITANT
- HS Code
- 2924297099 · 2924297099
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers61 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司
Related reactions
3 records
Compound notes
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