CAS 17061-62-0 Bis(4-methoxybenzyl)amine (HCID 714952)

Names & identifiers

Preferred name: Bis(4-methoxybenzyl)amine
IUPAC: 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
English name: Bis-(4-methoxy-benzyl)-amine
Molecular formula: C16H19NO2
Molecular weight: 257.33

Names & synonyms

Bis(4-methoxybenzyl)amine17061-62-0bis[(4-methoxyphenyl)methyl]amineDTXSID00351948bis((4-methoxyphenyl)methyl)amineRefChem:568908DTXCID10303014810-785-9Bis-(4-methoxy-benzyl)-amineN,N-bis(4-methoxybenzyl)amineBis-(4-methoxybenzyl)-amineMFCD00277836

Show more names

dianisylamineCHEMBRDG-BB 5550428Bis(4-methoxybenzyl)N-Bis(4-methoxybenzyl)amineBis(4-methoxybenzyl)amine,97%N,N-bis(p-methoxybenzyl)amineBI5-(4-M ETHOXY-BENZYL)-AMI NE

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanaminebis-(4-methoxybenzyl)amineN-(4-Methoxybenzyl)-1-(4-methoxyphenyl)methanamine; N,N-Bis(4-Methoxybenzyl)amine; Bis(4-methoxybenzyl)amine; 4,4'-dimethoxy-dibenzylamineBenzenemethanamine, 4-methoxy-N-[(4-methoxyphenyl)methyl]-di(4-methoxybenzyl)amineMaybridge1_007781bis(para-methoxybenzyl)amineCambridge id 5550428

Database identifiers

CAS: 17061-62-0
PubChem CID: 714952
DTXSID: DTXSID00351948
ChEMBL: CHEMBL1625290
ChEBI: CHEBI:195038
EC Number: 810-785-9
Nikkaji: J1.014.526K

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 30.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 207

Physicochemical properties

Melting point: 35 · 35-37℃
Boiling point: 384 ℃ · 384℃
Density: 1.073 · 1.073
Flash point: 161 ℃ · 161℃
storage temp.: 2 · 2-8°C(protect from light)
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 9.55 · 9.55±0.20(Predicted)
color: White to Off-White
InChI: InChI=1S/C16H19NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKey: HBKPDEWGANZHJO-UHFFFAOYSA-N
SMILES: C1(CNCC2=CC=C(OC)C=C2)=CC=C(OC)C=C1
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2922190090 · 2922190090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 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.

Hazard information

Regulatory InformationStatus: Active Update: 12-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33122

Hazard Classes and CategoriesSkin Corr. 1C (80%)；Skin Irrit. 2 (20%)；Eye Dam. 1 (40%)；Eye Irrit. 2 (20%)

Regulatory information

Regulatory InformationStatus: Active Update: 12-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33122

Safety data

hs_code: 2922190090
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
hazard_class: 8
Hazard statements: H314-H318
REACH Registrations: Active
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

UsesN,N-Bis(4-methoxybenzyl)amine acts as a reagent for the synthesis and biological evaluation of pentanedioc acid derivatives as farnesyltransferase inhibitors. Also used in the preparation of (heteroarylamino)triazolamines as antiviral agents useful in the treatment of HCV infection.