CAS
937648-82-3 Purity
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937648-82-3 Purity
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3-(2-Ethoxyphenyl)-1-propanamine
CAS
937653-39-9
Catalog Number
ACM937653399
Category
Other Products
Molecular Weight
179.258780 [g/mol]
Molecular Formula
C11H17NO
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Specification
Synonyms
3-(2-ethoxyphenyl)propan-1-amine, STK825979, AGN-PC-01KXZY, SureCN9038190, CTK5F7515, MolPort-003-733-108, (2-ETHOXYBENZYL)ETHYLAMINE, BBL000622, AKOS000345217, AG-H-50735, MCULE-9799682255, 937653-39-9
IUPAC Name
3-(2-ethoxyphenyl)propan-1-amine
Canonical SMILES
CCOC1=CC=CC=C1CCCN
InChI Key
ITVNSLFHPCLQQF-UHFFFAOYSA-N
Boiling Point
271.969ºC at 760 mmHg
Flash Point
112.551ºC
Density
0.98g/cm³
Exact Mass
179.13100
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C11H17NO.
When was the compound first created?
The compound was first created on November 13, 2007.
What is the molecular weight of the compound?
The molecular weight of the compound is 179.26 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 3-(2-ethoxyphenyl)propan-1-amine.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CCOC1=CC=CC=C1CCCN.
How many hydrogen bond donor counts are there in the compound?
There is one hydrogen bond donor count in the compound.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.9.
How many rotatable bond counts are there in the compound?
There are 5 rotatable bond counts in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 35.2 Ų.
Is the compound Is Canonicalized?
Yes, the compound is Canonicalized.
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