Propylurea

HCID 12303

Notes Reactions

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Basic information

CAS: 627-06-5
Standard SMILES: CCCNC(N)=O
InChIKey: ZQZJKHIIQFPZCS-UHFFFAOYSA-N
Molecular formula: C4H10N2O
Average molar mass: 102.14 g/mol
Monoisotopic mass: 102.07931295

Names & identifiers

Preferred name: Propylurea
IUPAC: propylurea
English name: N-Propylurea
Molecular formula: C4H10N2O
Molecular weight: 102.14

Names & synonyms

N-PropylureaPropylurea627-06-50PK51J4AV7NSC-73471DTXSID2060830RefChem:176560DTXCID4043488210-981-91-PropylureaUREA, PROPYL-MFCD00014793

Show more names

propyl-uren-Propylurea,95%n-Propylurea,98%urea,monopropyl-N-propylsulphamide

NSC73471propyl ureaUrea, N-propyl-EINECS 210-981-9NSC 73471BRN 1743060UNII-0PK51J4AV7n-propyl urea

Database identifiers

CAS: 627-06-5
PubChem CID: 12303
DTXSID: DTXSID2060830
UNII: 0PK51J4AV7
EC Number: 210-981-9
Nikkaji: J843E

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 62

Physicochemical properties

Melting point: 107 °C · 107 °C
Boiling point: 191.46 °C · 191.46°C (rough estimate)
Density: 1.0739 · 1.0739 (rough estimate)
refractive index: 1.4386 · 1.4386 (estimate)
storage temp.: 2 · 2-8°C
Water Solubility: Soluble in water.
CAS DataBase Reference: 627 · 627-06-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 0 PK51J4AV7 · 0PK51J4AV7
NIST Chemistry Reference: N-Propylurea(627-06-5)
EPA Substance Registry System: Urea, propyl- (627-06-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 24 · 24/25
RTECS: 151550 · YU151550
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

tsca: TSCA listed
rtecs: YU151550
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25
Hazard statements: H317-H319
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationUrea, N-propyl-: ACTIVE

Applications

Usesn-Propylurea is used as a reactant in the preparation of N-1 monosubstituted 8-pyrazolyl xanthines as high affinity A2B adenosine receptor antagonists.