Basic information
- CAS
13253-82-2- Standard SMILES
NC1CCC(CC2CCC(NC(=O)O)CC2)CC1- InChIKey
NAXYKJVXULDOFW-UHFFFAOYSA-N- Molecular formula
- C14H26N2O2
- Average molar mass
- 254.37 g/mol
- Monoisotopic mass
- 254.19942808
Names & identifiers
- Preferred name
- (4-((4-Aminocyclohexyl)methyl)cyclohexyl)carbamic acid
- IUPAC
- [4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamic acid
- English name
- [4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamic acid
- Molecular formula
- C14H26N2O2
- Molecular weight
- 254.37
Names & synonyms
13253-82-2[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamic acid(4-((4-Aminocyclohexyl)methyl)cyclohexyl)carbamic acid{4-[(4-aminocyclohexyl)methyl]cyclohexyl}carbamic acidEINECS 236-239-4Carbamic acid, [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-DTXSID2065385Carbamic acid, (4-((4-aminocyclohexyl)methyl)cyclohexyl)-Carbamic acid, N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-Carbamic acid, N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-RefChem:401912DTXCID4034100
Show more names
Alicyclic amine saltN-[4-[(4-Aminocyclohexyl)methyl]cyclohexyl]carbamic acid4-(4-aminocyclohexylmethyl)cyclohexylcarbamic acid betaine
236-239-4NAXYKJVXULDOFW-UHFFFAOYSA-NSCHEMBL1695582NS00021604
Database identifiers
- CAS
13253-82-2
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- -1.38 · -1.38±0.12(Predicted)
- EPA Substance Registry System
- 4 · Carbamic acid, [4-[(4-aminocyclohexyl)methyl]cyclohexyl]- (13253-82-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 5% (1 of 20) of reports.
Warning
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Carbamic acid, [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-
Hazard Classes and CategoriesAcute Tox. 4 (95%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamic acid, N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-: ACTIVE
Suppliers10 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118076; 18086118070 · [email protected]
泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
武汉浩荣生物科技有限公司18186132299 18186132299 · [email protected]
武汉卡米克科技有限公司18162538168 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
武汉拉那白医药化工有限公司027-81819291; 15307151931 · [email protected]
武汉裕清嘉衡药业有限公司027-83855312 17771813295 13377865312 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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