Veratrylamine (HCID 79832)

Names & identifiers

Preferred name: Veratrylamine
IUPAC: (3,4-dimethoxyphenyl)methanamine
English name: Veratrylamine
Molecular formula: C9H13NO2
Molecular weight: 167.21

Names & synonyms

3,4-Dimethoxybenzylamine5763-61-1VeratrylamineBenzenemethanamine, 3,4-dimethoxy-NSC-271740KQA442BL6WDTXSID50206292RefChem:4863083,4-DBADTXCID50128783227-287-7(3,4-Dimethoxyphenyl)methanamine

Show more names

VTATOBO-005AKOS 237-129AKOS BBS-00006456RARECHEM AL BW 01613,4-Dimethoxybenzyla3,4-DiMethyloxybenzylaMine

1-(3,4-dimethoxyphenyl)methanamineBenzylamine, 3,4-dimethoxy-3,4-dimethoxybenzenemethanamineMFCD000081163,4-dimethoxy-benzylamine(3,4-dimethoxyphenyl)methylamineDrotaverine Impurity 14EINECS 227-287-7

Database identifiers

CAS: 5763-61-1
PubChem CID: 79832
DTXSID: DTXSID50206292
UNII: KQA442BL6W
EC Number: 227-287-7
Nikkaji: J1.839B

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 262 · 262-263 °C(Solv: N,N-dimethylformamide (68-12-2))
Boiling point: 281 · 281-284 °C (lit.)
Density: 1.109 g/mL · 1.109 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.556(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: Chloroform, Methanol
pka: 9.28 · 9.28±0.10(Predicted)
form: Liquid
Specific Gravity: 1.109 · 1.109
color: Clear light yellow
Sensitive: Air Sensitive
BRN: 511575 · 511575
InChI: 1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3
InChIKey: DIVNUTGTTIRPQA-UHFFFAOYSA-N
SMILES: COc1ccc(CN)cc1OC
CAS DataBase Reference: 5763 · 5763-61-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 442 BL6W · KQA442BL6W
NIST Chemistry Reference: Veratrylamine(5763-61-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,C
Risk Statements: 37 · 37-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · 2735
WGK Germany: 3 · 3
RTECS: 7355000 · YX7355000
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29222990 · 29222990
Storage Class: 10 · 10 - Combustible liquids
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 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

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)；Acute Tox. 4 (12.5%)；Skin Corr. 1B (100%)；Eye Dam. 1 (12.5%)；Acute Tox. 4 (12.5%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: YX7355000
ridadr: 2735
hs_code: 29222990
risk_code: 37-34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a