1H-Benzotriazole-1-propanoic acid
Properties
- Molecular formula
- C9H9N3O2
- Molar mass
- 191.19 g/mol
- Exact mass
- 191.0695 Da
- logP
- 0.91Crippen estimate
- Polar surface area
- 68.0 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
654-15-9SMILES
O=C(O)CCn1nnc2ccccc21InChIKey
NZNPMUUOXMZCBF-UHFFFAOYSA-NInChI
InChI=1S/C9H9N3O2/c13-9(14)5-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,5-6H2,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1H-Benzotriazole-1-propionic acid
- β-(1-Benzotriazolyl)propionic acid
- 1-(Carboxyethyl)benzotriazole
- 1-Benzotriazolepropanoic acid
- 3-(Benzotriazol-1-yl)propionic acid
- 3-(Benzotriazol-1-yl)propanoic acid
- 3-(1H-Benzotriazol-1-yl)propanoic acid
Work with 1H-Benzotriazole-1-propanoic acid
Similar compounds
Benzotriazol-1-yl-acetic acid4144-64-373 % similar
3-Benzoimidazol-1-yl-propionic acid14840-18-757 % similar
1H-Benzotriazole-1-methanol28539-02-853 % similar
Benzoimidazol-1-yl-acetic acid40332-16-945 % similar
3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid13610-59-845 % similar
Bis(hydroxybenzotriazolyl) carbonate88544-01-843 % similar
Hydroxybenzotriazole2592-95-242 % similar
1H-Benzimidazole-2-propanoic acid23249-97-041 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds