4-Benzylmorpholine-2-carboxylic acid

HCID 2776353CAS 769087-80-1

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Basic information

Standard SMILES: O=C(O)C1CN(Cc2ccccc2)CCO1
InChIKey: UJDWIUOGWSDEFP-UHFFFAOYSA-N
Molecular formula: C12H15NO3
Average molar mass: 221.25 g/mol
Monoisotopic mass: 221.10519334

Names & identifiers

Preferred name: 4-Benzylmorpholine-2-carboxylic acid
IUPAC: 4-benzylmorpholine-2-carboxylic acid
English name: 4-BENZYL-MORPHOLINE-2-CARBOXYLIC ACID
Molecular formula: C12H15NO3
Molecular weight: 221.25

Names & synonyms

4-benzylmorpholine-2-carboxylic acid769087-80-1DTXSID40380010RefChem:290338DTXCID303310364-Benzyl-morpholine-2-carboxylic acid4-Benzyl-2-morpholinecarboxylic acidMFCD064106282-Morpholinecarboxylicacid, 4-(phenylmethyl)-SDCCGMLS-0065966.P001Oprea1_606346SCHEMBL159384

Show more names

4-Benzyl-morpholine-2-carboxylic acid ,97%2-Morpholinecarboxylic acid, 4-(phenylmethyl)-

4-Benzyl-morpholine-2-carboxylic Acid Hydrochloride SaltUJDWIUOorb3169861UJDWIUOGWSDEFP-UHFFFAOYSA-N4-(Phenylmethyl)-2-morpholinecarboxylic Acid Hydrochloride Salt4-benzylmorpholine-2-carboxylicacidFL0057SBB053359

Database identifiers

CAS: 769087-80-1
PubChem CID: 2776353
DTXSID: DTXSID40380010
EC Number: 676-033-5

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 238

Physicochemical properties

Boiling point: 372.7 · 372.7±42.0 °C(Predicted)
Density: 1.235 · 1.235±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 2.57 · 2.57±0.20(Predicted)
form: Solid
color: White to Off-White
Stability: Hygroscopic
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 Irrit. 2 (100%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Benzyl-morpholine-2-carboxylic is used in the synthesis of novel morpholine conjugated benzophenone analogs and evaluation of antagonistic role against neoplastic development.