Basic information
- CAS
4442-85-7- Standard SMILES
NCCC1CCCCC1- InChIKey
HFACYWDPMNWMIW-UHFFFAOYSA-N- Molecular formula
- C8H17N
- Average molar mass
- 127.23 g/mol
- Monoisotopic mass
- 127.13609954
Overview
2-Cyclohexylethanamine has been reported in Vachellia rigidula with data available.
Names & identifiers
- Preferred name
- 2-Cyclohexylethylamine
- IUPAC
- 2-cyclohexylethanamine
- English name
- 2-Cyclohexyl-ethylamine hydrochloride
- Molecular formula
- C8H17N
- Molecular weight
- 127.23
Names & synonyms
2-cyclohexylethanamine2-CyclohexylethylamineCyclohexaneethanamine2-Cyclohexyl-ethylamineCyclohexaneethylamine2-AminoethylcyclohexaneETHYLAMINE, 2-CYCLOHEXYL-NSC 59005WIN 5522-2Cyclohexaneethanamine (9CI)EINECS 224-673-7NSC 44879
Show more names
2-cyclohexylethan-1-amineAmbal3308Win-5522-2AKOS BC-1169ASISCHEM Z95313RARECHEM AN KA 0004
BRN 26891154-12-00-00133 (Beilstein Handbook Reference)Cyclohexaneethylamine (8CI)DTXSID60196170RefChem:86628DTXCID70118661224-673-74442-85-7
Database identifiers
- CAS
4442-85-7- PubChem CID
- 20509
- DTXSID
DTXSID60196170- ChEMBL
CHEMBL19428- UNII
- XWL8YSK9QV
- EC Number
- 224-673-7
- Nikkaji
- J49.881E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65
Physicochemical properties
- Melting point
- -15 °C · -15°C (estimate)
- Boiling point
- 96 °C/40mmHg · 96°C/40mmHg(lit.)
- Density
- 0.8455 · 0.8455 (estimate)
- refractive index
- 1.463 · 1.4630-1.4670
- Flash point
- 51 °C · 51 °C
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 10 · 10+-.0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.87 · 0.87
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C8H17N/c9-7-6-8-4-2-1-3-5-8/h8H,1-7,9H2
- InChIKey
- HFACYWDPMNWMIW-UHFFFAOYSA-N
- SMILES
- C1(CCN)CCCCC1
- FDA UNII
- 8 YSK9QV · XWL8YSK9QV
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314-H318
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-52-36
- Safety Statements
- 26 · 26
- RIDADR
- 2735 · UN2735
- WGK Germany
- 3 · WGK 3
- RTECS
- 3325000 · KR3325000
- HS Code
- 2921.3 · 2921.30.5000
- HazardClass
- 8 · 8
- PackingGroup
- III
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (14.3%)
Safety data
- wgk
- WGK 3
- rtecs
- KR3325000
- ridadr
- UN2735
- hs_code
- 2921.30.5000
- risk_code
- 22-52-36
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H226-H314-H318
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
Chemistry & industry
Applications
UsesIn the resolution system of (RS)-1-cyclohexylethylamine (CHEA) with (S)-mandelic acid (MA), the DCR (dielectrically controlled resolution) phenomenon was clearly observed.
Upstream & downstream products
Upstream raw materials
Suppliers76 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
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常州捷展化工技术有限公司15861130028 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
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上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
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山东西亚化学有限公司4009903999 13395398332 · [email protected]
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上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
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career henan chemical co+86-0371-86658258 · [email protected]
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Related reactions
26 records
Compound notes
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