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26389-60-6 molecular structure
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(cyclopropylmethyl)(propyl)amine

ChemBase ID: 145679
Molecular Formular: C7H15N
Molecular Mass: 113.2007
Monoisotopic Mass: 113.12044949
SMILES and InChIs

SMILES:
CCCNCC1CC1
Canonical SMILES:
CCCNCC1CC1
InChI:
InChI=1S/C7H15N/c1-2-5-8-6-7-3-4-7/h7-8H,2-6H2,1H3
InChIKey:
MAVLRJDQJZJTQP-UHFFFAOYSA-N

Cite this record

CBID:145679 http://www.chembase.cn/molecule-145679.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(cyclopropylmethyl)(propyl)amine
IUPAC Traditional name
(cyclopropylmethyl)(propyl)amine
Synonyms
N-Propylcyclopropanemethylamine
N-丙基环丙甲胺
CAS Number
26389-60-6
EC Number
247-646-1
MDL Number
MFCD00001308
PubChem SID
162239883
24859671
PubChem CID
117787

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
327573 external link Add to cart Please log in.
Data Source Data ID
PubChem 117787 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7710737  LogD (pH = 7.4) -1.5395477 
Log P 1.4670291  Molar Refractivity 35.908 cm3
Polarizability 14.445701 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
31 °C expand Show data source
87.8 °F expand Show data source
Density
0.792 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.43(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
2733 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2733 3/PG 3 expand Show data source
Purity
95% expand Show data source
Linear Formula
C3H5CH2NHCH2CH2CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 327573 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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