CAS
91251-55-7 Purity
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91251-55-7 Purity
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4-Piperidinecarboxylicacid,1-[4-(aminomethyl)-2-pyridinyl]-,ethyl ester
CAS
912569-46-1
Catalog Number
ACM912569461
Category
Other Products
Molecular Weight
263.34
Molecular Formula
C14H21N3O2
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Specification
Synonyms
912569-46-1, Ethyl 1-[4-(aminomethyl)pyridin-2-yl]piperidine-4-carboxylate, CTK5G9128, SBB102684, AG-H-74328, CC50713, KB-251931, 1-[4-(Aminomethyl)pyridin-2-yl]-4-(ethoxycarbonyl)piperidine, 4-(Aminomethyl)-2-[4-(ethoxycarbonyl)piperidin-1-yl]pyridine, ethyl 1-[4-(aminomethyl)-2-pyridyl]piperidine-4-carboxylate, ETHYL 1-[4-(AMINOMETHYL)(PYRIDIN-2-YL)]PIPERIDINE-4-CARBOXYLATE
IUPAC Name
ethyl 1-[4-(aminomethyl)pyridin-2-yl]piperidine-4-carboxylate
Canonical SMILES
CCOC(=O)C1CCN(CC1)C2=NC=CC(=C2)CN
InChI Key
BMBWEVVLGSEYRI-UHFFFAOYSA-N
Boiling Point
435.7ºC at 760 mmHg
Melting Point
>200ºC (dec.)
Flash Point
217.3ºC
Density
1.149g/cm³
Exact Mass
263.16300
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?
The molecular formula is C14H21N3O2.
What is the molecular weight of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?
The molecular weight is 263.34 g/mol.
When was 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester first created in PubChem?
It was first created on 2008-02-29.
What is the InChIKey of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?
The InChIKey is BMBWEVVLGSEYRI-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?
There is 1 hydrogen bond donor count.
What is the XLogP3-AA value of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?
The XLogP3-AA value is 0.9.
What is the topological polar surface area of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?
The topological polar surface area is 68.4 Ų.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
How many rotatable bond counts are there in 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?
There are 5 rotatable bond counts.
What is the formal charge of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?
The formal charge is 0.
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