CAS
916420-24-1 Purity
96%
916420-24-1 Purity
96%
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Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
CAS
916420-29-6
Catalog Number
ACM916420296
Category
Other Products
Molecular Weight
194.23036
Molecular Formula
C10H14N2O2
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Specification
Synonyms
ETHYL 4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLATE
IUPAC Name
ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
Canonical SMILES
CCOC(=O)C1=CC2=C(N1)CCNC2
InChI Key
DLTWHLZZIAFDGB-UHFFFAOYSA-N
Boiling Point
400.1ºC at 760 mmHg
Flash Point
195.8ºC
Density
1.177g/cm³
Exact Mass
194.10600
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The molecular formula is C10H14N2O2.
When was Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate created and last modified?
It was created on 2010-03-02 and last modified on 2023-12-30.
What is the IUPAC name of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The IUPAC name is ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate.
What is the computed InChI of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)9-5-7-6-11-4-3-8(7)12-9/h5,11-12H,2-4,6H2,1H3.
What is the Canonical SMILES of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The Canonical SMILES is CCOC(=O)C1=CC2=C(N1)CCNC2.
What is the molecular weight of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The molecular weight is 194.23 g/mol.
How many hydrogen bond donor counts are there in Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
There are 2 hydrogen bond donor counts.
What is the exact mass of Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The exact mass is 194.105527694 g/mol.
How many rotatable bond counts are there in Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
There are 3 rotatable bond counts.
Is the compound canonicalized for Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
Yes, the compound is canonicalized.
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