Basic information
- CAS
13957-35-2- Standard SMILES
Cc1cc(C(CC(C)N)c2ccc(O)cc2)ccc1O- InChIKey
QQXUACLYCIWJIU-UHFFFAOYSA-N- Molecular formula
- C17H21NO2
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.15722891
Overview
structure
Names & identifiers
- Preferred name
- 4-(3-Amino-1-(4-hydroxyphenyl)butyl)-2-methylphenol
- IUPAC
- 4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol
- English name
- 4-[3-Amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol
- Molecular weight
- 0
Names & synonyms
13957-35-24-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenolL 19354-(3-Amino-1-(4-hydroxyphenyl)butyl)-2-methylphenolDTXSID90930509L-1935RefChem:151618DTXCID1013592354-(alpha-(2-Aminopropyl)-p-hydroxybenzyl)-o-cresolCompound l19354-alpha-(2-aminopropyl)-p-hydroxybenzyl-1-o-cresolCompound L 1935
Show more names
1935L
Histamine-liberator L 1935Phenol, 4-(3-amino-1-(4-hydroxyphenyl)butyl)-2-methyl-4(4'Oxyphenyl)4(3''methyl-4''oxyphenyl)butylamine 2 [French]4(4'Oxyphenyl)4(3''methyl-4''oxyphenyl)butylamine 2orb1696732SCHEMBL29446624o-CRESOL, 4-(alpha-(2-AMINOPROPYL)-p-HYDROXYBENZYL)-AKOS040752294
Database identifiers
- CAS
13957-35-2- PubChem CID
- 26348
- DTXSID
DTXSID90930509- Nikkaji
- J118.433D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Chemistry & industry
Applications
DescriptionL 1935 is a powerful histamine-liberator.
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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