Veratrylamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
5763-61-1- Standard SMILES
COc1ccc(CN)cc1OC- InChIKey
DIVNUTGTTIRPQA-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
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 propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 44.5 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
Chemistry & industry
Applications
Uses3,4-Dimethoxybenzylamine (cas# 5763-61-1) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
228 records
Compound notes
Loading…