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2-(Dimethylamino)cyclohexanol

HCID 97890
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
15910-74-4
Standard SMILES
CN(C)C1CCCCC1O
InChIKey
UFUVLAQFZSUWHR-UHFFFAOYSA-N
Molecular formula
C8H17NO
Average molar mass
143.23 g/mol

Names & identifiers

Preferred name
2-(Dimethylamino)cyclohexanol
IUPAC
2-(dimethylamino)cyclohexan-1-ol
English name
2-(dimethylamino)cyclohexan-1-ol
Molecular formula
C8H17NO
Molecular weight
143.23

Names & synonyms

2-(Dimethylamino)cyclohexanol2-(Dimethylamino)cyclohexan-1-ol30727-29-8cyclohexanol, 2-(dimethylamino)-Cyclohexanol, 2-(dimethylamino)-, cis-CHEMBL103052cis-2-(Dimethylamino)Cyclohexanol20431-82-7Cyclohexanol, 2-(dimethylamino)-, trans-2-dimethylamino-1-cyclohexanol(1R,2S)-2-(dimethylamino)cyclohexanolEINECS 250-313-3
Show more names
2-Dimethylamino-cyclohexanolSCHEMBL2453564SCHEMBL10402643SCHEMBL27958657ALBB-012159NSC54552BDBM50147106MFCD12762111

Database identifiers

CAS
15910-74-4、20431-82-7、30727-29-8
PubChem CID
97890
ChEMBL
CHEMBL103052
EC Number
250-313-3
Nikkaji
J287.386I

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
23.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
103

Physicochemical properties

Boiling point
198 °C · 198 °C
Density
0.954 g/cm3 · 0.954 g/cm3
pka
14.94 · 14.94±0.40(Predicted)

Chemistry & industry

Suppliers6 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
海济医药科技(苏州)有限公司18012778619 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
上海化鑫微医药科技有限公司18019176997 18019176997 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

12 records
New reaction record
HRID 86420 reaction equation
HRID 86420As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 164012 reaction equation
HRID 164012As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 298608 reaction equation
HRID 298608As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 319125 reaction equation
HRID 319125As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 441435 reaction equation
HRID 441435As productuspto-grants-1977_08
HRID 441436 reaction equation
HRID 441436As reactantuspto-grants-1977_08
HRID 541107 reaction equation
HRID 541107As reactantuspto-grants-2014_10
HRID 799681 reaction equation
HRID 799681As productTest data from https://doi.org/10.1039/C8SC04228D
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Compound notes

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