CAS
916766-84-2 Purity
96%
916766-84-2 Purity
96%
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2-[3-(Dimethylamino)propoxy]benzylamine
CAS
916766-87-5
Catalog Number
ACM916766875
Category
Other Products
Molecular Weight
208.3
Molecular Formula
C12H20N2O
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Specification
Synonyms
916766-87-5, SureCN113497, CTK3I6458, MolPort-000-143-847, SBB094077, AKOS009423752, AG-H-76519, CC59613, 2-[3-(Dimethylamino)propoxy]benzylamine, KB-88119, {2-[3-(dimethylamino)propoxy]phenyl}methanamine, {3-[2-(aminomethyl)phenoxy]propyl}dimethylamine, Benzenemethanamine, 2-[3-(dimethylamino)propoxy]-, 3-[2-(Aminomethyl)phenoxy]-N,N-dimethylpropylamine, I01-17290
IUPAC Name
3-[2-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
Canonical SMILES
CN(C)CCCOC1=CC=CC=C1CN
InChI Key
CWYPVGNYPWEJLK-UHFFFAOYSA-N
Boiling Point
110ºC
Flash Point
146ºC
Density
1.007g/cm³
Exact Mass
208.15800
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula is C12H20N2O.
What is the molecular weight of the compound?
The molecular weight is 208.30 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-[2-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine.
What is the InChI of the compound?
The InChI is InChI=1S/C12H20N2O/c1-14(2)8-5-9-15-12-7-4-3-6-11(12)10-13/h3-4,6-7H,5,8-10,13H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey is CWYPVGNYPWEJLK-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there?
There are 3 hydrogen bond acceptor counts.
How many rotatable bond counts are there?
There are 6 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 38.5 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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