CAS 557769-86-5 2-[(Cyclopropylmethyl)amino]ethan-1-ol (HCID 18316100)

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Basic information

CAS: 557769-86-5
Standard SMILES: OCCNCC1CC1
InChIKey: HJIGAAUGGJHBMI-UHFFFAOYSA-N
Molecular formula: C6H13NO
Average molar mass: 115.17 g/mol
Monoisotopic mass: 115.09971404

Names & identifiers

Preferred name: 2-[(Cyclopropylmethyl)amino]ethan-1-ol
IUPAC: 2-(cyclopropylmethylamino)ethanol
English name: 2-[(cyclopropylmethyl)amino]ethan-1-ol
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

2-[(cyclopropylmethyl)amino]ethan-1-ol557769-86-52-((cyclopropylmethyl)amino)ethan-1-olRefChem:449837871-387-92-(cyclopropylmethylamino)ethanolN-(2-Hydroxyethyl)(cyclopropylmethyl)amineMFCD11150511N-cyclopropylmethyl-N-(2-hydroxyethyl)amine2-((cyclopropylmethyl)amino)ethanolSCHEMBL3429214SCHEMBL4152833

Show more names

2-(Cyclopropylmethyl-amino)-ethanol

HJIGAAUGGJHBMI-UHFFFAOYSA-NAKOS000251679BS-12801DB-321096DB-408397CS-0251553EN300-55180G55088

Database identifiers

CAS: 557769-86-5
PubChem CID: 18316100
EC Number: 871-387-9

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 61

Physicochemical properties

Boiling point: 217.6 · 217.6±13.0 °C(Predicted)
Density: 1.013 · 1.013±0.06 g/cm3(Predicted)
pka: 14.8 · 14.80±0.10(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H314-H335
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Applications

Uses2-(Cyclopropylmethylamino)ethanol can be used as MCl-1 inhibitors. It can also be used for selective neuropeptide Y receptor ligands for various clinical conditions.