CAS
959239-18-0 Purity
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959239-18-0 Purity
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3,3-Dimethyl-1-(3-pyridinyl)-1-butanamine
CAS
959239-41-9
Catalog Number
ACM959239419
Category
Other Products
Molecular Weight
178.274020 [g/mol]
Molecular Formula
C11H18N2
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Specification
Synonyms
3,3-Dimethyl-1-(3-pyridinyl)-1-butanamine, 959239-41-9, 3,3-dimethyl-1-(3-pyridyl)butylamine, Ambcb4026609, CTK5H8382, SBB051589, AKOS013153829, AG-H-94416, MCULE-1118544428, ST4150478
IUPAC Name
3,3-dimethyl-1-pyridin-3-ylbutan-1-amine
Canonical SMILES
CC(C)(C)CC(C1=CN=CC=C1)N
InChI Key
VLKDKWYBQJERMT-UHFFFAOYSA-N
Boiling Point
276.9ºC at 760 mmHg
Flash Point
141.9ºC
Density
0.958g/cm³
Exact Mass
178.14700
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C11H18N2.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3,3-dimethyl-1-pyridin-3-ylbutan-1-amine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H18N2/c1-11(2,3)7-10(12)9-5-4-6-13-8-9/h4-6,8,10H,7,12H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey of the compound is VLKDKWYBQJERMT-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)(C)CC(C1=CN=CC=C1)N.
What is the molecular weight of the compound?
The molecular weight of the compound is 178.27 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.8.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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![N-[(1-Ethyl-3-pyrrolidinyl)methyl]-1-ethanamine](https://resource.alfa-chemistry.com/structure/959239-18-0.gif)
CAS
959239-52-2 Purity
96%
959239-52-2 Purity
96%
