CAS
955-98-6 Purity
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955-98-6 Purity
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Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate
CAS
955998-64-8
Catalog Number
ACM955998648
Category
Other Products
Molecular Weight
171.667160 [g/mol]
Molecular Formula
C14H19NO3
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Specification
Synonyms
1-(2-METHYLPHENYL)ETHANAMINE HYDROCHLORIDE, 35106-87-7, (R)-1-O-TOLYLETHANAMINE-HCl, (S)-1-O-TOLYLETHANAMINE-HCl, SureCN4938432, CTK8E1588, 1-(o-Tolyl)ethanamine hydrochloride, AKOS015950588, AK146980, AB1000668, KB-213306, 955998-64-8
IUPAC Name
1-(2-methylphenyl)ethanamine;hydrochloride
Canonical SMILES
COC(=O)C1CN(CCC1O)CC2=CC=CC=C2
InChI Key
VNGAKUOLRVQVHG-UHFFFAOYSA-N
Boiling Point
376.3±42.0 °C (760 mmHg)
Density
1.184±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
249.13600
H-Bond Acceptor
1
H-Bond Donor
2
What is the molecular formula of Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
The molecular formula is C14H19NO3.
What is the molecular weight of Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
The molecular weight is 249.30 g/mol.
When was Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate created?
It was created on June 13, 2012.
When was Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate last modified?
It was last modified on December 30, 2023.
What is the IUPAC name of Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
The IUPAC name is methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate.
What is the InChI of Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
The InChI is InChI=1S/C14H19NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3.
What is the InChIKey of Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
The InChIKey is LNTDJAQQPGLCGB-UHFFFAOYSA-N.
What is the canonical SMILES of Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
The canonical SMILES is COC(=O)C1CN(CCC1O)CC2=CC=CC=C2.
What is the XLogP3-AA value of Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
The XLogP3-AA value is 1.7.
How many hydrogen bond acceptors does Methyl 1-benzyl-4-hydroxypiperidine-3-carboxylate have?
It has 4 hydrogen bond acceptors.
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