Home > Compound List > Compound details
162104836 molecular structure
click picture or here to close

2-(3-chlorophenyl)propan-2-amine hydrochloride

ChemBase ID: 90661
Molecular Formular: C9H13Cl2N
Molecular Mass: 206.11222
Monoisotopic Mass: 205.04250478
SMILES and InChIs

SMILES:
Clc1cc(ccc1)C(C)(C)N.Cl
Canonical SMILES:
Clc1cccc(c1)C(N)(C)C.Cl
InChI:
InChI=1S/C9H12ClN.ClH/c1-9(2,11)7-4-3-5-8(10)6-7;/h3-6H,11H2,1-2H3;1H
InChIKey:
DPLPZZFTPMLUPT-UHFFFAOYSA-N

Cite this record

CBID:90661 http://www.chembase.cn/molecule-90661.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-chlorophenyl)propan-2-amine hydrochloride
IUPAC Traditional name
2-(3-chlorophenyl)propan-2-amine hydrochloride
Synonyms
2-(3-Chlorophenyl)propan-2-amine hydrochloride
2-Amino-2-(3-chlorophenyl)propane hydrochloride
3-Chloro-alpha,alpha-dimethylbenzylamine hydrochloride
PubChem SID
162104836
PubChem CID
45158338

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR61224 external link Add to cart Please log in.
Data Source Data ID
PubChem 45158338 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6122391  LogD (pH = 7.4) 0.053533018 
Log P 2.4002106  Molar Refractivity 48.3932 cm3
Polarizability 19.239115 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

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