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(1-Benzylindazol-3-yl)methanol

HCID 10657568
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
131427-21-9
Standard SMILES
OCc1nn(Cc2ccccc2)c2ccccc12
InChIKey
AKQDXNFPEFHRLS-UHFFFAOYSA-N
Molecular formula
C15H14N2O
Average molar mass
238.28 g/mol
Monoisotopic mass
238.11061307

Names & identifiers

Preferred name
(1-Benzylindazol-3-yl)methanol
IUPAC
(1-benzylindazol-3-yl)methanol
English name
1-BENZYL-3-HYDROXYMETHYL-1H-INDAZOLE
Molecular formula
C15H14N2O
Molecular weight
238.28

Names & synonyms

(1-benzylindazol-3-yl)methanolEC 603-485-2RefChem:392063603-485-2131427-21-9(1-Benzyl-1H-indazol-3-yl)methanol1-BENZYL-3-HYDROXYMETHYL-1H-INDAZOLE(1-Benzyl-1H-indazol-3-yl)-methanol1H-Indazole-3-methanol, 1-(phenylmethyl)-SCHEMBL928055SCHEMBL295624181-benzyl-3-hydroxymethylindazole
Show more names
1-(Phenylmethyl)-1H-indazole-3-methanol
1-benzyl3-hydroxymethyl-indazoleDTXSID704431421-benzyl-3-hydroxymethyl-indazoleAKQDXNFPEFHRLS-UHFFFAOYSA-NMFCD01631172AKOS015911451(1-Benzyl-1H-indazol-3-yl) methanolSB16311

Database identifiers

CAS
131427-21-9
PubChem CID
10657568
DTXSID
DTXSID70443142
EC Number
603-485-2

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
38.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
265

Physicochemical properties

Boiling point
450.624 ℃ · 450.624℃ at 101.325kPa
LogP
2.561 · 2.561
REACH Registrations
Inactive

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationStatus: Active Update: 27-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12733

Safety data

REACH Registrations
Inactive

Chemistry & industry

Suppliers13 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Aladdin Scientific[email protected]
上海昕博生物科技有限公司18016367361 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

26 records
New reaction record
HRID 76111 reaction equation
HRID 76111As reactantuspto-grants-2014_09
HRID 167415 reaction equation
HRID 167415As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 343095 reaction equation
HRID 343095As productuspto-grants-1999_01
HRID 343096 reaction equation
HRID 343096As reactantuspto-grants-1999_01
HRID 358971 reaction equation
HRID 358971As productAs reactantuspto-grants-1991_03
HRID 358972 reaction equation
HRID 358972As productAs reactantuspto-grants-1991_03
HRID 358973 reaction equation
HRID 358973As productAs reactantuspto-grants-1991_03
HRID 666653 reaction equation
HRID 666653As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
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Compound notes

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