Basic information
- CAS
134855-87-1- Standard SMILES
CC(N)c1ccc(O)cc1- InChIKey
CDQPLIAKRDYOCB-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Overview
1-(p-Hydroxyphenyl)ethylamine is a member of phenols.
Names & identifiers
- Preferred name
- 4-(1-Aminoethyl)phenol
- IUPAC
- 4-(1-aminoethyl)phenol
- English name
- 1-(p-Hydroxyphenyl)ethylamine
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
4-(1-Aminoethyl)phenol134855-87-1Phenol, 4-(1-aminoethyl)-DTXSID10928781RefChem:1069707DTXCID4013575451-(p-Hydroxyphenyl)ethylamine4-(1-amino-ethyl)-phenolMFCD001432094-(aminoethyl)phenolC-01529ST085510
Show more names
TIMTEC-BB SBB0084534-(1-aminoethyl)-pheno4-(1-aminoethyl)benzenephenol(^+)-4-(1-Aminoethyl)phenol, 97%4-(1-aminoethyl)phenol - [A82416]4-(1-aminoethyl)phenol(SALTDATA: HCl)
1-(4-hydroxyphenyl)ethylaminep-Oxyphenylathylamin4-(1-Aminoethyl)-phenolCHEBI:581SCHEMBL6333741-(4-hydroxyphenyl)ethanamineSCHEMBL2643071SCHEMBL4751075
Database identifiers
- CAS
134855-87-1- PubChem CID
- 123594
- DTXSID
DTXSID10928781- ChEBI
CHEBI:581- Nikkaji
- J2.742.637I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.4
Physicochemical properties
- Boiling point
- 252 ℃ · 252℃
- Density
- 1.096 · 1.096
- RTECS
- 5950150 · SJ5950150
- Flash point
- 106 ℃ · 106℃
- pka
- 10.2 · 10.20±0.26(Predicted)
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C8H11NO/c1-6(9)7-2-4-8(10)5-3-7/h2-6,10H,9H2,1H3
- InChIKey
- CDQPLIAKRDYOCB-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C(N)C)C=C1
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 4 · Phenol, 4-(1-aminoethyl)- (134855-87-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIt is employed as a intermediate for pharmaceutical.
Suppliers38 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
上海拓朴医药科技有限公司+86 (21) 5196-9732
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
Related reactions
27 records
Compound notes
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