Catalog No.:AA002FLB

19213-23-1 | 1H-Benzotriazole, 1-(1-pyrrolidinylmethyl)-

Name: Name:1H-Benzotriazole, 1-(1-pyrrolidinylmethyl)-
Brand: AABLOCKS
SKU: AA002FLB
Rating: 90 (10 reviews)

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Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA002FLB

Chemical Name:

1H-Benzotriazole, 1-(1-pyrrolidinylmethyl)-

CAS Number:

19213-23-1

Molecular Formula:

C11H14N4

Molecular Weight:

202.2557

MDL Number:

MFCD00449257

SMILES:

C1CCN(C1)Cn1nnc2c1cccc2

Properties

Computed Properties

Complexity:

215

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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Tags:19213-23-1 Molecular Formula|19213-23-1 MDL|19213-23-1 SMILES|19213-23-1 1H-Benzotriazole, 1-(1-pyrrolidinylmethyl)-

Catalog No.: AA002FLB

19213-23-1 | 1H-Benzotriazole, 1-(1-pyrrolidinylmethyl)-

This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.

Inquire

Technical Information

Catalog Number: AA002FLB

Chemical Name: 1H-Benzotriazole, 1-(1-pyrrolidinylmethyl)-

CAS Number: 19213-23-1

Molecular Formula: C11H14N4

Molecular Weight: 202.2557

MDL Number: MFCD00449257

SMILES: C1CCN(C1)Cn1nnc2c1cccc2

Properties

Complexity: 215

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.8

Literature fold

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology20050601

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188063-14-1

6-Methyl-1,3-benzoxazol-2-amine

AA002GLV | MFCD11844836

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AA002GX5 | MFCD00190508

188890-63-3

2H-Tetrazole, 5-(2,6-difluorophenyl)-

AA002HD6 | MFCD01075673

189281-48-9

2,4-Dichloro-5-fluoropyridine

AA002I4M | MFCD18257011

20656-08-0

Benzamide, 2,4-dichloro-N-(2-hydroxyethyl)-

AA002IHS | MFCD00141691

20703-41-7

(E)-Ethyl N-hydroxyacetimidate

AA002IR1 | MFCD00002114

20754-22-7

Methyl 4-trifluoromethylcinnamate

AA002J18 | MFCD01861883

207924-92-3

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AA002JAL | MFCD06410963

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