Basic information
- Standard SMILES
CC1CCC(N)CC1- InChIKey
KSMVBYPXNKCPAJ-UHFFFAOYSA-N- Molecular formula
- C7H15N
- Average molar mass
- 113.2 g/mol
- Monoisotopic mass
- 113.12044948
Overview
P-aminocyclohexylmethane appears as a colorless viscous oily liquid with almost no odor. Contact with the skin, eyes and mucous membranes causes severe chemical burns. Toxic by skin absorption. Toxic ammonia and nitrogen oxides may be released upon exposure to fire.
Names & identifiers
- Preferred name
- 4-Methylcyclohexylamine
- IUPAC
- 4-methylcyclohexan-1-amine
- English name
- trans-4-Methylcyclohexyl amine
- Molecular formula
- C7H15N
- Molecular weight
- 113.2
Names & synonyms
4-Methylcyclohexylamine6321-23-94-MethylcyclohexanamineCyclohexanamine, 4-methyl-p-MethylcyclohexylamineCyclohexylamine, 4-methyl-DTXSID2064232NSC-32387RefChem:998664-MCHA9WR926L6NRDTXCID6043759
Show more names
Trans-Glimepiride Impurity 24Trans-4-Methylcylohexylaminerans-4-Methylcyclohexylaminetrans-4-Methylcyclohexylamin(1r,4r)-4-MethylcyclohexanaMineTrans-4-Methyl Cylclohexyl AmineTRANS-4-METHYL-1-CYCLOHEXYLAMINE
228-673-8Trans-4-Methylcyclohexylamine2523-55-92523-56-0cis-4-Methylcyclohexylaminetrans-4-Methylcyclohexanamine4-methylcyclohexan-1-amineCis-4-Methylcyclohexanamine
Database identifiers
- CAS
2523-55-9、2523-56-0、6321-23-9- PubChem CID
- 80604
- DTXSID
DTXSID2064232- ChEMBL
CHEMBL3780789、CHEMBL510738- ChEBI
CHEBI:183280- UNII
- 6HY7JNM5XM、HZE5FWV7EQ
- EC Number
- 228-673-8、835-419-5
- Nikkaji
- J149.994G、J263.661A、J263.667K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62.8
Experimental & physicochemical properties
Physical Description
P-aminocyclohexylmethane appears as a colorless viscous oily liquid with almost no odor. Contact with the skin, eyes and mucous membranes causes severe chemical burns. Toxic by skin absorption. Toxic ammonia and nitrogen oxides may be released upon exposure to fire.
Physicochemical properties
- Melting point
- -8.5 °C · -8.5°C (estimate)
- Boiling point
- 151 · 151-154°C
- Density
- 0.85 · 0.85
- refractive index
- 1.45 to · 1.4500 to 1.4530
- Flash point
- 26 °C · 26°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- clear liquid
- pka
- 10.58 · 10.58±0.70(Predicted)
- color
- Colorless to Light yellow
- InChI
- InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
- InChIKey
- KSMVBYPXNKCPAJ-LJGSYFOKSA-N
- SMILES
- [C@@H]1(N)CC[C@@H](C)CC1
- CAS DataBase Reference
- 2523 · 2523-55-9(CAS DataBase Reference)
- FDA UNII
- 6 HY7JNM5XM · 6HY7JNM5XM
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 280 · P280-P210-P309+P311
- Hazard Codes
- C,Xn
- Risk Statements
- 10 · 10-35-52-36-22
- Safety Statements
- 16 · 16-28-26
- RIDADR
- 2733 · 2733
- HazardClass
- 8 · 8/3
- PackingGroup
- II
- HS Code
- 2921309990 · 2921309990
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
P-AMINOCYCLOHEXYLMETHANE is incompatible with acids and oxidizing agents. Neutralizes acids exothermically to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Generates flammable gaseous hydrogen in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsSlowly decomposes in air to yield ammonia.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Safety & protection
Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Safety data
- ridadr
- 2733
- hs_code
- 2921309990
- risk_code
- 10-35-52-36-22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C,Xn
- safety_code
- 16-28-26
- hazard_class
- 8/3
- packing_group
- II
- Hazard statements
- H226-H314
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P280-P210-P309+P311
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanamine, 4-methyl-: ACTIVE
Applications
Usestrans-4-Methylcyclohexylamine is used to characterize spermidine synthase of malaria parasite.
Upstream & downstream products
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
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Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Additional notes
DefinitionChEBI: 4-Methylcyclohexylamine is an amine.
Related reactions
61 records
Linked notes
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