2-Methoxy-4-morpholinoaniline

HCID 414960CAS 209960-91-8

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(N2CCOCC2)ccc1N
InChIKey: BQTMHUUWYHEPNQ-UHFFFAOYSA-N
Molecular formula: C11H16N2O2
Average molar mass: 208.26 g/mol
Monoisotopic mass: 208.12117775

Names & identifiers

Preferred name: 2-Methoxy-4-morpholinoaniline
IUPAC: 2-methoxy-4-morpholin-4-ylaniline
English name: 2-methoxy-4-morpholinoaniline
Molecular formula: C11H16N2O2
Molecular weight: 208.26

Names & synonyms

2-methoxy-4-morpholinoaniline209960-91-8DTXSID70328889RefChem:262583DTXCID802799942-methoxy-4-(morpholin-4-yl)aniline2-methoxy-4-morpholin-4-ylanilineMFCD099722102-Methoxy-4-morpholinobenzenamine2-methoxy-4-morpholin-4-yl-anilineSCHEMBL223337Benzenamine, 2-methoxy-4-(4-morpholinyl)-

Show more names

2-methoxy-4-(4-morpholinyl)Benzenamine2-Methoxy-4-morpholin-4-yl-phenylamine2-methoxy-4-morpholinoaniline hydrochloride2-methoxy-4-morpholinoaniline dihydrochloride

2-Methoxy-4-(4-morpholinyl)anilineAMY47BQTMHUUWYHEPNQ-UHFFFAOYSA-N2-methoxy-4-morpholinyl-phenylamineSBB0940592-methoxy-4-morpholin-4-ylphenylamineAKOS005071463AC-0703

Database identifiers

CAS: 209960-91-8
PubChem CID: 414960
DTXSID: DTXSID70328889
Nikkaji: J2.264.766K

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 47.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 195

Physicochemical properties

Melting point: 78 · 78-80°
Boiling point: 408.1 · 408.1±45.0 °C(Predicted)
Density: 1.163 · 1.163±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 6.3 · 6.30±0.40(Predicted)
color: Purple
InChI: InChI=1S/C11H16N2O2/c1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKey: BQTMHUUWYHEPNQ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(N2CCOCC2)C=C1OC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

4-(3-methoxy-4-nitrophenyl)morpholine 5-Fluoro-2-nitroanisole

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

34 records

New reaction record

HRID 83As reactant750 AstraZeneca ELN dataset

HRID 109470As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 114014As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 134285As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 146691As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 153361As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161038As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 170439As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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