Basic information
- CAS
62491-96-7- Standard SMILES
O=C(NCCCl)Nc1ccncc1- InChIKey
AMFLVHLPLULRRP-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3O
- Average molar mass
- 199.64 g/mol
- Monoisotopic mass
- 199.0512396
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-
- IUPAC
- 1-(2-chloroethyl)-3-pyridin-4-ylurea
- English name
- 1-(2-Chloro-ethyl)-3-pyridin-4-yl-urea
- Molecular formula
- C8H10ClN3O
- Molecular weight
- 199.64
Names & synonyms
62491-96-7Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-DTXSID20211530RefChem:1100737DTXCID501340211-(2-chloroethyl)-3-(pyridin-4-yl)urea1-(2-chloroethyl)-3-pyridin-4-ylureaN-(2-Chloroethyl)-N'-(4-pyridinyl)urea3-(2-chloroethyl)-1-(pyridin-4-yl)ureaMFCD01676543BRN 04751611-(2-Chloroethyl)-3-(4-pyridyl)urea
Show more names
N-(2-chloroethyl)-N'-(4-pyridyl)urea1-(2-Chloro-ethyl)-3-pyridin-4-yl-ureaUrea, N-(2-chloroethyl)-N'-4-pyridinyl-N-(2-Chloroethyl)-N′-(4-pyridinyl)urea, CAS 62491-96-7
NSC1622891-(2-Chloroethyl)-3-(4-pyridinyl)ureaN-(2-Chloroethyl)-N'-pyridin-4-ylureaSCHEMBL2958982AMFLVHLPLULRRP-UHFFFAOYSA-NSBB092529AKOS005071986CA-0921
Database identifiers
- CAS
62491-96-7- PubChem CID
- 98728
- DTXSID
DTXSID20211530- Nikkaji
- J83.914K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 102 · 102-106°C
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers10 total
北京福源坊科技有限公司010-57903446 15869909019 · [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]
吉林中科研伸科技有限公司18143011203 · [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]
Alfa Chemistry+1-5166625404 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
8 records
Compound notes
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