Basic information
- Standard SMILES
CNCc1ccccc1- InChIKey
RIWRFSMVIUAEBX-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914935
Overview
precursor of carcinogen benzylmethylnitrosamine; RN given refers to parent cpd
Names & identifiers
- Preferred name
- N-Methylbenzylamine
- IUPAC
- N-methyl-1-phenylmethanamine
- English name
- N-Methylbenzylamine
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
N-METHYLBENZYLAMINE103-67-3N-BenzylmethylamineN-methyl-1-phenylmethanamineMethylbenzylamineBenzylmethylamineBenzyl(methyl)amineBenzenemethanamine, N-methyl-N-Benzyl-N-methylamineBenzylamine, N-methyl-7KN7F4X49ENSC-8059
Show more names
NMBABENZYL METHYLAMINEN-methyl-1-phenyl-methanamineCL044NSC 8059N-MethylbenzylaeN-MethylbenzylaminBenzyl(methyl)amin
DTXSID9048439RefChem:830682DTXCID9028413203-133-4Benzyl-methyl-amineN-Methy-N-benzylamineN-methyl-N-benzylamineMFCD00008289
Database identifiers
- CAS
103-67-3- PubChem CID
- 7669
- DTXSID
DTXSID9048439- ChEMBL
CHEMBL1338- UNII
- 7KN7F4X49E
- EC Number
- 203-133-4
- Nikkaji
- J28.348G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.52
Vapor Pressure0.65 [mmHg]
Physical DescriptionColorless liquid with an amine-like odor; [Alfa Aesar MSDS]
Collision Cross Section126.07 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- -24 °C · -24 °C
- Boiling point
- 184 · 184-189 °C(lit.)
- Density
- 0.939 g/mL · 0.939 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.522(lit.)
- Flash point
- 172 °F · 172 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 65 g/l · 65g/l
- form
- Liquid
- pka
- 9.75 · 9.75±0.10(Predicted)
- color
- Clear colorless to light yellow
- PH
- 10 · 10 (10g/l, H2O, 20℃)
- explosive limit
- 1.4 · 1.4-7.7%(V)
- Water Solubility
- 65 g/L · 65 g/L (20 ºC)
- Sensitive
- Air Sensitive
- BRN
- 606221 · 606221
- Dielectric constant
- 4.4 · 4.4(19℃)
- Stability
- Stable, but may be air sensitive through reaction with carbon dioxide. Combustible. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides, carbon dioxide.
- Cosmetics Ingredients Functions
- SURFACE MODIFIERSURFACTANT - CLEANSING
- InChI
- 1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
- InChIKey
- RIWRFSMVIUAEBX-UHFFFAOYSA-N
- SMILES
- CNCc1ccccc1
- CAS DataBase Reference
- 103 · 103-67-3(CAS DataBase Reference)
- FDA UNII
- 7 KN7F4X49E · 7KN7F4X49E
- NIST Chemistry Reference
- Benzenemethanamine, N-methyl-(103-67-3)
- EPA Substance Registry System
- N-Methylbenzylamine (103-67-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS08
- Signal word
- Danger
- Hazard statements
- 314 · H314-H317-H334
- Precautionary statements
- 261 · P261-P272-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34-42/43-22
- Safety Statements
- 23 · 23-26-36/37/39-45
- RIDADR
- 2735 · UN 2735 8/PG 2
- WGK Germany
- 1 · 1
- F
- 2 · 2-10
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29214980 · 29214980
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.2% (5 of 2144) of reports.
Danger
H226 (93.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2144 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: Benzenemethanamine, N-methyl-
Status: Active Update: 10-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10517
Benzyl(methyl)amine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryPrecursor of carcinogen benzylmethylnitrosamine. [ChemIDplus] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS] See alpha-Methylbenzylamine.
Hazard Classes and Categories
Flam. Liq. 3 (93.6%)
Acute toxicity - category 4
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 2-10
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29214980
- risk_code
- 34-42/43-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS08
- hazard_code
- C
- safety_code
- 23-26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314-H317-H334
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
- Precautionary statements
- P261-P272-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, N-methyl-: ACTIVE
Applications
UsesN-Benzylmethylamine is used in the production of dyes. It can be also used as catalytic agent, Petrochemical additive. N-methylbenzylamine is a member of phenylmethylamines. N-methylbenzylamine can be found in carrot, which makes N-methylbenzylamine a potential biomarker for the consumption of these food products.
Upstream & downstream products
Downstream products
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Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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