Basic information
- CAS
29026-75-3- Standard SMILES
Nc1ccccc1OC1CCCC1- InChIKey
FNBWQWIPPGLDPD-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 2-(Cyclopentyloxy)aniline
- IUPAC
- 2-cyclopentyloxyaniline
- English name
- 2-Cyclopentyloxy-phenylamine
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
2-(cyclopentyloxy)aniline29026-75-32-Cyclopentyloxy-phenylamine2-cyclopentyloxyanilineBenzenamine, 2-(cyclopentyloxy)-2-cyclopentyloxyphenylamineMFCD049709882-(Cyclopentyloxy)-benzenamine2-(cyclopentyloxy)Benzenamine[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine Ring Parent; 1,3-Dioxolo[i][1,3]dioxolo[4,5]benzo[1,2-c]phenanthridine; 13-Demethylsanguinarine;Demethylsanguinarine; N-Norsanguinarine; NSC 1437622-Cyclopentoxyaniline2-(cyclopentoxy)aniline
Show more names
AKOS B021967AKOS BC-2533TIMTEC-BB SBB010617ART-CHEM-BB B021967
SCHEMBL1134126SCHEMBL28179624DTXSID10424516FNBWQWIPPGLDPD-UHFFFAOYSA-NHMS1704K21SBB010617STK347160AKOS000149215
Database identifiers
- CAS
29026-75-3- PubChem CID
- 6485398
- DTXSID
DTXSID10424516
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 301.1 · 301.1±15.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- pka
- 4.44 · 4.44±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety data
- hs_code
- 2921490090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers12 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
13 records
Compound notes
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