Basic information
- CAS
36226-32-1- Standard SMILES
NC(=O)NCc1cccnc1- InChIKey
PWHUPFOHNXWYSH-UHFFFAOYSA-N- Molecular formula
- C7H9N3O
- Average molar mass
- 151.17 g/mol
- Monoisotopic mass
- 151.07456191
Names & identifiers
- Preferred name
- Urea, (3-pyridinylmethyl)-
- IUPAC
- pyridin-3-ylmethylurea
- English name
- 1-(3-Pyridylmethyl)urea, 98
- Molecular formula
- C7H9N3O
- Molecular weight
- 151.17
Names & synonyms
36226-32-1Urea, (3-pyridinylmethyl)-(3-Pyridylmethyl)ureaUrea, N-(3-pyridinylmethyl)-1-(3-pyridylmethyl)ureaEINECS 252-928-2DTXSID1067960RefChem:901208DTXCID0039144252-928-2N-(3-pyridinylmethyl)urea1-(pyridin-3-ylmethyl)urea
Show more names
(3-pyridinylmethyl)-ure(3-Pyridinylmethyl)urea1-[(Pyridin-3-yl)methyl]urea3-[(Carbamoylamino)methyl]pyridine, 3-(Ureidomethyl)pyridine
pyridin-3-ylmethylurea[(pyridin-3-yl)methyl]urea(pyridin-3-ylmethyl)ureaN-(pyridin-3-ylmethyl)ureaMFCD001342341-(3-PYRIDYLMETHYL)UREA, 983-pyridylmethylureaOprea1_185803
Database identifiers
- CAS
36226-32-1- PubChem CID
- 118929
- DTXSID
DTXSID1067960- ChEMBL
CHEMBL1380001- EC Number
- 252-928-2
- Nikkaji
- J319.614C
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 181 · 181-183 °C(lit.)
- Boiling point
- 321.3 · 321.3±34.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- pka
- 12.99 · 12.99±0.46(Predicted)
- EPA Substance Registry System
- Urea, (3-pyridinylmethyl)- (36226-32-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P271
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationUrea, (3-pyridinylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P271
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationUrea, N-(3-pyridinylmethyl)-: INACTIVE
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
2 records
Compound notes
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