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70807-90-8 molecular structure
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2-methoxypropan-1-amine hydrochloride

ChemBase ID: 15420
Molecular Formular: C4H12ClNO
Molecular Mass: 125.59718
Monoisotopic Mass: 125.06074169
SMILES and InChIs

SMILES:
NCC(OC)C.Cl
Canonical SMILES:
CC(OC)CN.Cl
InChI:
InChI=1S/C4H11NO.ClH/c1-4(3-5)6-2;/h4H,3,5H2,1-2H3;1H
InChIKey:
HDXPVDSGCDOOFU-UHFFFAOYSA-N

Cite this record

CBID:15420 http://www.chembase.cn/molecule-15420.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxypropan-1-amine hydrochloride
IUPAC Traditional name
2-methoxypropan-1-amine hydrochloride
Synonyms
2-Methoxy-1-propanamine hydrochloride
CAS Number
70807-90-8
MDL Number
MFCD08146657
PubChem SID
160978727
PubChem CID
17178035

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
015552 external link Add to cart Please log in.
Data Source Data ID
PubChem 17178035 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2437024  LogD (pH = 7.4) -2.304067 
Log P -0.25585935  Molar Refractivity 25.3811 cm3
Polarizability 10.314882 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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