1-(Pyrrolidin-1-ylmethyl)benzotriazole
Basic information
- CAS
19213-23-1- Standard SMILES
c1ccc2c(c1)nnn2CN1CCCC1- InChIKey
URXUWDKSGHWDFQ-UHFFFAOYSA-N- Molecular formula
- C11H14N4
- Average molar mass
- 202.26 g/mol
- Monoisotopic mass
- 202.12184646
Overview
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Names & identifiers
- Preferred name
- 1-(Pyrrolidin-1-ylmethyl)benzotriazole
- IUPAC
- 1-(pyrrolidin-1-ylmethyl)benzotriazole
- English name
- (1-Pyrrolidinylmethyl)benzotriazole 97&
- Molecular formula
- C11H14N4
- Molecular weight
- 202.26
Names & synonyms
19213-23-11-(pyrrolidin-1-ylmethyl)benzotriazole1-(1-pyrrolidinylmethyl)-1H-1,2,3-benzotriazole1-(Pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole1-(Pyrrolidin-1-ylmethyl)-1H-benzo[d][1,2,3]triazole1H-Benzotriazole, 1-(1-pyrrolidinylmethyl)-1-[(pyrrolidin-1-yl)methyl]-1H-1,2,3-benzotriazole1-pyrrolidin-1-ylmethyl-1h-benzotriazoleCBDivE_006652starbld0038246Oprea1_689163BIDD:GT0057
Show more names
(1-Pyrrolidinylmethyl)benzotriazole 97&(1-pyrrolidinylmethyl)benzotriazole, mixture of bt1 and bt2 isomers(1-PYRROLIDINYLMETHYL)BENZOTRIAZOLE, 97% , MIXTURE OF BT1 AND BT2 ISOMERS
SCHEMBL4340679DTXSID10274876(1-pyrrolidinylmethyl)benzotriazoleAKOS0026628661-[(Pyrrolidin-1-yl)methyl]-1H-benzotriazoleAE-848/34542017SR-01000197712SR-01000197712-1
Database identifiers
- CAS
19213-23-1- PubChem CID
- 29502
- DTXSID
DTXSID10274876- Nikkaji
- J501.794G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 80 · 80-83 °C(lit.)
- Boiling point
- 351.1 · 351.1±25.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 8.11 · 8.11±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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