Basic information
- CAS
42955-46-4- Standard SMILES
CCCCCCCNC(N)=O- InChIKey
LDNJCDRFTFLQLF-UHFFFAOYSA-N- Molecular formula
- C8H18N2O
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.1419132
Names & identifiers
- Preferred name
- Heptylurea
- IUPAC
- heptylurea
- English name
- 3-n-Heptyl-5-cyanocytosine
- Molecular formula
- C8H18N2O
- Molecular weight
- 158.24
Names & synonyms
HeptylureaN-HeptylureaRefChem:783754653-586-0UREA, n-HEPTYL-42955-46-41-heptylurea3-n-Heptyl-5-cyanocytosineUrea, heptyl-BRN 1756920Heptylharnstoffheptyl-urea
Show more names
n-Heptylurea #4-04-00-00739 (Beilstein Handbook Reference)SCHEMBL3055110SCHEMBL7300285DTXSID40195580AKOS024333478NS00095952
Database identifiers
- CAS
42955-46-4- PubChem CID
- 39357
- DTXSID
DTXSID40195580- EC Number
- 653-586-0
- Nikkaji
- J93.233G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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