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4-[(1,4-diazepan-1-yl)methyl]benzonitrile



Compound number:
MolPort-002-471-099
CAS number: 199928-77-3
IUPAC:
4-[(1,4-diazepan-1-yl)methyl]benzonitrile
IUPAC traditional:
4-(1,4-diazepan-1-ylmethyl)benzonitrile
SMILES:
N#Cc1ccc(CN2CCCNCC2)cc1
InChI key:
CKHPOEAVFDQAKD-UHFFFAOYSA-N
Molecular formula:
C13H17N3
Molecular weight: 215.3
Solubility: not available

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Supplier Catalogue Data


Catalog: Building blocks Ships out: 14 business days Purity: 95+%
Last updated: > 3 months ago In warehouse: Unverified
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1 g February 16, 2022 348.30 USD
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2 g February 16, 2022 554.70 USD
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5 g February 16, 2022 838.50 USD
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More Information

Compound Identifiers
Compound number: MolPort-002-471-099
CAS number: 199928-77-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000019230103
4-(1,4-diazepan-1-ylmethyl)benzonitrile
4-[(1,4-diazepan-1-yl)methyl]benzonitrile
Benzonitrile, 4-[(hexahydro-1H-1,4-diazepin-1-yl)methyl]-
MFCD08239615

InChI
InChI: 1S/C13H17N3/c14-10-12-2-4-13(5-3-12)11-16-8-1-6-15-7-9-16/h2-5,15H,1,6-9,11H2
InChI key: CKHPOEAVFDQAKD-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C13H17N3
Molecular weight: 215.3

Scaffolds

Other

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