Basic information
- CAS
27489-62-9- Standard SMILES
NC1CCC(O)CC1- InChIKey
IMLXLGZJLAOKJN-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Overview
induces testicular atrophy in rats; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 4-Aminocyclohexanol
- IUPAC
- 4-aminocyclohexan-1-ol
- English name
- 4α-Aminocyclohexan-1α-ol
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
4-Aminocyclohexanol6850-65-3XD2LTC5NA4DTXSID70218630RefChem:518223DTXCID20141121229-943-8trans-4-Aminocyclohexanolcis-4-Aminocyclohexanol27489-62-94-aminocyclohexan-1-ol40525-78-8
Show more names
Cis-aminohexanolAmbroxol Impurity 6Tranexamic Impurity 7Ambroxol Impurity 164α-Aminocyclohexan-1α-olCyclohexanol, 4-amino-, cis-4alpha-Aminocyclohexan-1alpha-olrel-(1s,4s)-4-aminocyclohexan-1-olAmbroxol Impurity 6(Tranexamic Impurity 7)
cis-4-Amino-cyclohexanol247489-62-94-amino-cyclohexanol(1r,4r)-4-aminocyclohexan-1-olCyclohexanol, 4-amino-, trans-trans-4-Aminocyclohexan-1-olMFCD00042624(1R,4R)-4-AMINOCYCLOHEXANOL
Database identifiers
- CAS
27489-62-9、40525-78-8、50910-54-8、6850-65-3- PubChem CID
- 81293
- DTXSID
DTXSID70218630
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 66.9
Physicochemical properties
- Boiling point
- 201.1 · 201.1±33.0 °C(Predicted)
- Density
- 1.037 · 1.037
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 15.12 · 15.12±0.40(Predicted)
- form
- solid
- color
- Off-white to light yellow
- InChI
- InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/t5-,6+
- InChIKey
- IMLXLGZJLAOKJN-OLQVQODUSA-N
- SMILES
- [C@@H]1(O)CC[C@H](N)CC1
- FDA UNII
- 3 K079SXM0E · 3K079SXM0E
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P280-P330-P501-P303+P361+P353-P304+P340-P310-P305+P351+P338-P273-P391
- RIDADR
- 1993 · UN1993
- HS Code
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (29.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 78 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Hazard information
Regulatory InformationStatus: Active Update: 23-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18073
Hazard Classes and Categories
Skin Corr. 1B (29.5%)
Skin Corr. 1B (100%)
Safety data
- ridadr
- UN1993
- hs_code
- 2922190090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- Hazard statements
- H302-H314-H410
- Precautionary statements
- P264-P270-P301+P312-P280-P330-P501-P303+P361+P353-P304+P340-P310-P305+P351+P338-P273-P391
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-Aminocyclohexanol, cis- is a known human metabolite of ambroxol.
Suppliers96 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Related reactions
163 records
Compound notes
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