4-Methoxy-N,N-dimethylbenzenamine

HCID 69700CAS 701-56-4

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(N(C)C)cc1
InChIKey: ZTKDMNHEQMILPE-UHFFFAOYSA-N
Molecular formula: C9H13NO
Average molar mass: 151.21 g/mol
Monoisotopic mass: 151.09971404

Names & identifiers

Preferred name: 4-Methoxy-N,N-dimethylbenzenamine
IUPAC: 4-methoxy-N,N-dimethylaniline
English name: (4-Methoxy-phenyl)-dimethyl-amine
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

701-56-4N,N-Dimethyl-4-anisidineBenzenamine, 4-methoxy-N,N-dimethyl-4-Methoxy-N,N-dimethylbenzenamineN,N-Dimethyl-para-anisidineDTXSID50220377RefChem:161253DTXCID501428684-Methoxy-N,N-dimethylaniline(4-Methoxy-phenyl)-dimethyl-amineN,N-Dimethyl-p-anisidinep-(Dimethylamino)anisole

Show more names

NSC 866704-N,N-DIMETHYLAMINOANISOLE4-(Dimethylamino)methoxybenzene(4-Methoxy-phenyl)-dimethanamine

N,N-Dimethyl-4-methoxyanilineMFCD00155300P8CL89W8APNSC-86670N,N-Dimethyl-p-methoxyanilineN,N-dimethylanisidinep-Anisidine, N,N-dimethyl-p-Methoxy-N,N-dimethylaniline

Database identifiers

CAS: 701-56-4
PubChem CID: 69700
DTXSID: DTXSID50220377
UNII: P8CL89W8AP
Nikkaji: J270.059J

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 106

Experimental & physicochemical properties

Ionization Efficiency · 6 items

Positive

3.57

5.4

Agilent 3Q

JetStream

formic acid (5nM)

Kovats Retention Index1332.8

Physicochemical properties

Melting point: 48 °C · 48 °C
Boiling point: 237 °C · 237 °C
Density: 0.998 · 0.998±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 5.84 · 5.84±0.12(Predicted)
Appearance: Off-white to gray Solid
InChI: InChI=1S/C9H13NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4-7H,1-3H3
InChIKey: ZTKDMNHEQMILPE-UHFFFAOYSA-N
SMILES: C1(N(C)C)=CC=C(OC)C=C1
FDA UNII: 8 CL89W8AP · P8CL89W8AP
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36/37/38
HS Code: 29222990 · 29222990

Safety & regulation

Safety data

hs_code: 29222990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

4-Nitroanisole 3-Cyclohexen-1-amine,4-methoxy-N,N-dimethyl-(9CI)

Suppliers50 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

2 records

New reaction record

HRID 1495087As reactantNiCOlit

HRID 1496243As reactantNiCOlit

Linked notes

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