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1-Phenylpyrrolidine-2-carboxamide

HCID 19032001
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
1378301-20-2
Standard SMILES
NC(=O)C1CCCN1c1ccccc1
InChIKey
QYRXZLMOIBPKTJ-UHFFFAOYSA-N
Molecular formula
C11H14N2O
Average molar mass
190.24 g/mol

Names & identifiers

Preferred name
1-Phenylpyrrolidine-2-carboxamide
IUPAC
1-phenylpyrrolidine-2-carboxamide

Names & synonyms

1-phenylpyrrolidine-2-carboxamide1378301-20-2RefChem:435746831-761-4SCHEMBL2172636DFC30120EN300-6730609

Database identifiers

CAS
1378301-20-2
PubChem CID
19032001
EC Number
831-761-4

Properties

Computed structural propertiesFilling in

XLogP
1.5
Topological polar surface area
46.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
211

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

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Related reactions

1 records
New reaction record
HRID 2324787 reaction equation
HRID 2324787As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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