54239-37-1
Product Name:
CIMATEROL
Formula:
C12H17N3O
Synonyms:
2-Amino-5-(1-hydroxy-2-isopropylaminoethyl)benzonitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 155.4 Ų [M+H]+ [CCS Type: TW] |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 219.28 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 219.137162174 g/mol |
| Monoisotopic Mass | 219.137162174 g/mol |
| Topological Polar Surface Area | 82.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 258 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile is a member of benzenes and a nitrile.