CAS 91271-83-9 3-Morpholin-4-ylmethyl-benzylamine (HCID 6484182)

Substructure search Find similar structures

Basic information

CAS: 91271-83-9
Standard SMILES: NCc1cccc(CN2CCOCC2)c1
InChIKey: JCIFAZAIURDZQN-UHFFFAOYSA-N
Molecular formula: C12H18N2O
Average molar mass: 206.28 g/mol
Monoisotopic mass: 206.1419132

Names & identifiers

Preferred name: 3-Morpholin-4-ylmethyl-benzylamine
IUPAC: [3-(morpholin-4-ylmethyl)phenyl]methanamine
English name: 3-Morpholin-4-ylmethyl-benzylamine
Molecular formula: C12H18N2O
Molecular weight: 206.28

Names & synonyms

91271-83-93-Morpholin-4-ylmethyl-benzylamineDTXSID40424408RefChem:281235DTXCID20375242(3-(Morpholinomethyl)phenyl)methanamine[3-(morpholin-4-ylmethyl)phenyl]methanamine[3-(morpholinomethyl)phenyl]methylamineMFCD066577771-[3-(Morpholin-4-ylmethyl)phenyl]methanamine3-Morpholin-4-ylmethylbenzylamine1-{3-[(morpholin-4-yl)methyl]phenyl}methanamine

Show more names

TIMTEC-BB SBB0111563-Morpholin-4-ylmethylbenzylamine95%3-MORPHOLIN-4-YLMETHYLBENZYLAMINE 95%Benzenemethanamine, 3-(4-morpholinylmethyl)-

[3-(Morpholinomethyl)phenyl]methanamineCHEMBL4570509{3-[(morpholin-4-yl)methyl]phenyl}methanamine[3-(morpholin-4-ylmethyl)phenyl]methylamineSCHEMBL1103883-(Morpholinomethyl)benzylamineorb3030968SCHEMBL29350303

Database identifiers

CAS: 91271-83-9
PubChem CID: 6484182
DTXSID: DTXSID40424408
ChEMBL: CHEMBL4570509
EC Number: 987-889-7

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 38.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 180

Physicochemical properties

Boiling point: 323.2 · 323.2±32.0 °C(Predicted)
Density: 1.103 · 1.103±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.08 · 9.08±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
HazardClass: IRRITANT

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.