Basic information
- CAS
13908-58-2- Standard SMILES
O=C(NCCCl)Nc1cccnc1- InChIKey
GHKZUTAGOUFZGD-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3O
- Average molar mass
- 199.64 g/mol
- Monoisotopic mass
- 199.05123962
Names & identifiers
- Preferred name
- N-(2-Chloroethyl)-N'-(3-pyridinyl)urea
- IUPAC
- 1-(2-chloroethyl)-3-pyridin-3-ylurea
- English name
- N-(2-Chloroethyl)-N'-(3-pyridinyl)urea
- Molecular formula
- C8H10ClN3O
- Molecular weight
- 199.64
Names & synonyms
13908-58-2N-(2-Chloroethyl)-N'-(3-pyridinyl)urea1-(2-chloroethyl)-3-pyridin-3-ylureaMFCD086897301-(2-Chloroethyl)-3-(pyridin-3-yl)ureaUrea, N-(2-chloroethyl)-N'-3-pyridinyl-3-(2-chloroethyl)-1-(pyridin-3-yl)ureaNSC83110N-(2-Chloroethyl)-N'-pyridin-3-ylureaNCIOpen2_001084SCHEMBL3787099CHEMBL2006596
Show more names
1-(2-Chloroethyl)-1-(pyridin-3-yl)ureaN-(2-Chloroethyl)-N′-(3-pyridinyl)urea, CAS 13908-58-2
DTXSID60930314GHKZUTAGOUFZGD-UHFFFAOYSA-NNSC-83110SBB092526AKOS005072738FA-08611-(2-Chloroethyl)-3-(3-pyridinyl)ureaN-(2-chloroethyl)-N'-(3-pyridyl) urea
Database identifiers
- CAS
13908-58-2- PubChem CID
- 256330
- DTXSID
DTXSID60930314- ChEMBL
CHEMBL2006596
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 143 · 143-144
- Boiling point
- 322.519 · 322.519±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.667 · 12.667±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
11 records
Compound notes
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