Home > Compound List > Compound details
35085-65-5 molecular structure
click picture or here to close

4-(2-amino-1-hydroxypropyl)phenol hydrochloride

ChemBase ID: 138879
Molecular Formular: C9H14ClNO2
Molecular Mass: 203.66596
Monoisotopic Mass: 203.07130637
SMILES and InChIs

SMILES:
CC(C(c1ccc(cc1)O)O)N.Cl
Canonical SMILES:
OC(c1ccc(cc1)O)C(N)C.Cl
InChI:
InChI=1S/C9H13NO2.ClH/c1-6(10)9(12)7-2-4-8(11)5-3-7;/h2-6,9,11-12H,10H2,1H3;1H
InChIKey:
AYEOOGDUDIHXQE-UHFFFAOYSA-N

Cite this record

CBID:138879 http://www.chembase.cn/molecule-138879.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-amino-1-hydroxypropyl)phenol hydrochloride
IUPAC Traditional name
4-(2-amino-1-hydroxypropyl)phenol hydrochloride
Synonyms
DL-4-Hydroxynorephedrine hydrochloride
α-(1-Aminoethyl)-4-hydroxybenzyl alcohol hydrochloride
DL-4-羟基去甲麻黄碱 盐酸盐
2-氨基-1-(4-羟基苯基)-1-丙醇 盐酸盐
CAS Number
35085-65-5
EC Number
252-353-7
MDL Number
MFCD00013020
PubChem SID
162233130
PubChem CID
518687

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
A54458 external link Add to cart Please log in.
Data Source Data ID
PubChem 518687 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.739209  H Acceptors
H Donor LogD (pH = 5.5) -2.3911715 
LogD (pH = 7.4) -1.350776  Log P -0.049673736 
Molar Refractivity 46.8936 cm3 Polarizability 18.594177 Å3
Polar Surface Area 66.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
202 °C (dec.)(lit.) expand Show data source
RTECS
DN4900000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99% expand Show data source
Linear Formula
HOC6H4C(OH)CH(NH2)CH3 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - A54458 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle