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Basic information
- CAS
5496-10-6- Standard SMILES
N#CC1(N)CCCCC1- InChIKey
HUMMCZRNZCKXHL-UHFFFAOYSA-N- Molecular formula
- C7H12N2
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.10004839
Names & identifiers
- Preferred name
- 1-Aminocyclohexanecarbonitrile
- IUPAC
- 1-aminocyclohexane-1-carbonitrile
- English name
- 1-amino-1-cyanocyclohexane
- Molecular formula
- C7H12N2
- Molecular weight
- 124.18
Names & synonyms
1-Aminocyclohexanecarbonitrile1-Cyanocyclohexylamine1-amino-1-cyanocyclohexaneCyclohexanecarbonitrile, 1-amino-DTXSID6044488356LN33RP8EINECS 226-830-51-cyano-1-aminocyclohexaneUNII-356LN33RP8DTXCID4024488RefChem:74897226-830-5
Show more names
-amino-1-cyanocyclohexane1-Aminocyclohexan-carbonitrile1-Amino-1-cyclohexanecarbonitrile1-aminocyclohexanecarbonitrile(SALTDATA: HCl)
5496-10-61-aminocyclohexane-1-carbonitrileMFCD01937788aminocyclohexanenitrileSCHEMBL4201031-Amino-cyclohexanecarbonitrileCHEMBL3185775SCHEMBL10449711
Database identifiers
- CAS
5496-10-6- PubChem CID
- 79635
- DTXSID
DTXSID6044488- ChEMBL
CHEMBL3185775- UNII
- 356LN33RP8
- EC Number
- 226-830-5
- Nikkaji
- J70.196C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 32 °C · 32 °C
- Boiling point
- 81 · 81-83 °C(Press: 10 Torr)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.70(Predicted)
- LogP
- 0.537 · 0.537 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 356 LN33RP8 · 356LN33RP8
- EPA Substance Registry System
- 1 · Cyclohexanecarbonitrile, 1-amino- (5496-10-6)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- TSCA
- TSCA listed
- HS Code
- 2922390090 · 2922390090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Corr. 1B (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)
Regulatory information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanecarbonitrile, 1-amino-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers33 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
Related reactions
22 records
Compound notes
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