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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 87736Generated: October 23, 2026

3,4,5-Trimethoxybenzylamine

AKOS BBS-00002737 · RARECHEM AL BW 0020 · 3,4,5-TRIMETHOXYBENZYLAMINE · 3,4,5-TRIMETHOXYBENZYLAMINE HCL · 3,4,5-Trimethoxybenzylamine 98% · 3,4,5-Trimethoxybenzylamine,96% · 3,4,5-TRIMETHOXYBENZYLAMINE, ~98% · 3,4,5-Trimethoxybenzenemethanamine

https://huagongshe.com/en/chemical/87736

3,4,5-Trimethoxybenzylamine molecular structure

Identifiers & Physical Properties

CAS No.18638-99-8
Molecular formulaC10H15NO3
Average molar mass197.23 g/mol
Monoisotopic mass197.10519334 g/mol
SMILESCOc1cc(CN)cc(OC)c1OC
InChIKeyYUPUSBMJCFBHAP-UHFFFAOYSA-N
PubChem CID87736
EC No.242-468-0
DTXSIDDTXSID10171891

Chemical & Physical Properties

XLogP0.3
Topological polar surface area53.7
Hydrogen bond donors1
Hydrogen bond acceptors4
Rotatable bonds4
Heavy atoms14
Formal charge0
Complexity151
Melting point227-229 °C(Solv: N,N-dimethylformamide (68-12-2))
Boiling point121 °C/0.05 mmHg (lit.)
Density1.155 g/mL at 25 °C (lit.)
Refractive indexn20/D 1.548(lit.)
Flash point>230 °F
Storage conditionsunder inert gas (nitrogen or Argon) at 2–8 °C
pKa (acidity coefficient)9.25±0.10(Predicted)
Physical stateLiquid
Specific gravity1.155
ColorClear colorless to slightly yellow
SolubilityNot miscible or difficult to mix in water.
SensitivityAir Sensitive
BRN1107570
InChI1S/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3
InChIKeyYUPUSBMJCFBHAP-UHFFFAOYSA-N
SMILESCOc1cc(CN)cc(OC)c1OC
CAS DataBase Reference18638-99-8(CAS DataBase Reference)
FDA UNII5DZ6S2AB35
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302+H312+H332-H315-H319-H335
GHS precautionary statementsP261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Target organsRespiratory system
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Hazard symbolsXn,C
Risk statements (R)20/21/22-36/37/38
Safety statements (S)26-37/39-36/37/39
UN transport number2735
Water hazard class (WGK)3
Hazard NoteCorrosive
Hazard class8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Packing groupIII
Customs code29222990
Storage class11 - Combustible Solids
Limited quantities5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & Regulations

GHS classificationDangerH302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (87.2%)
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)3
UN transport number2735
Customs code29222990
Risk statements (R)20/21/22-36/37/38
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXn,C
hazard_noteCorrosive
Safety statements (S)26-37/39-36/37/39
Hazard class8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Storage class11 - Combustible Solids
Packing groupIII
Target organsRespiratory system
GHS hazard statementsH302+H312+H332-H315-H319-H335
Limited quantities5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
GHS precautionary statementsP261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Applications & Uses

Uses

3,4,5-Trimethoxybenzylamine is used to study the structure-property relationships of surfaces that resist the adsorption of protein.