N-Methylphenylethanolamine (HCID 913)

Names & identifiers

Preferred name: N-Methylphenylethanolamine
IUPAC: 2-(methylamino)-1-phenylethanol
English name: DL-alpha-(Methylaminomethyl)benzyl alcohol
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

N-methylphenylethanolamine2-(methylamino)-1-phenylethan-1-ol68579-60-2(+-)-alpha-((Methylamino)methyl)benzenemethanolBenzyl alcohol, alpha-((methylamino)methyl)-, dl-U7B63FX8CHCHEBI:16913MPEOARefChem:830763N-methylphenylethanolamine hydrochloride2-(Methylamino)-1-phenylethanol6589-55-5

Show more names

HALOSTACHINEwin5529-2HalogetonGlomeratusAlkaloid2-(methylamino)-1-phenyl-ethanoalpha-(methylamino)benzylalcoholα-(methylaminomethyl)benzyl alcohol±-(Methylaminomethyl)benzyl alcohol

(+-)-Halostachinedl-alpha-(Methylaminomethyl)benzyl alcohol2-Methylamino-1-phenyl-ethanolalpha-(Methylaminomethyl)benzyl alcohol2-Methylamino-1-phenylethanol(+/-)-halostachineMFCD00004506dl-Halostachine

Database identifiers

CAS: 6589-55-5、68579-60-2
PubChem CID: 913
DTXSID: DTXSID90988242
ChEBI: CHEBI:16913
UNII: U7B63FX8CH
EC Number: 229-525-5
Nikkaji: J41.847A

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 99

Experimental & physicochemical properties

Melting Point74 - 76 °C

Physical DescriptionSolid

Physicochemical properties

Melting point: 74 · 74-76 °C (lit.)
Boiling point: 132 · 132-133 °C(Press: 15 Torr)
Density: 1.02 g/cm3 · 1.02 g/cm3(Temp: 0 °C)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Fine Crystalline Needles
pka: 14.03 · 14.03±0.20(Predicted)
color: White
Merck: 14 · 14,4601
BRN: 1072841 · 1072841
Stability: Stable. Incompatible with acids, acid chlorides, acid anhydrides, oxidizing agents.
InChI: InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
InChIKey: ZCTYHONEGJTYQV-UHFFFAOYSA-N
SMILES: C(C1C=CC=CC=1)(O)CNC
FDA UNII: 7 B63FX8CH · U7B63FX8CH
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H332
Precautionary statements: 261 · P261-P264-P270-P271-P301+P312-P304+P340+P312
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 20 · 20/22
Safety Statements: 36 · 36
WGK Germany: 3 · 3
RTECS: 9625000 · DO9625000
HS Code: 29221985 · 29221985
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 InhalationAcute · Acute Tox. 4 InhalationAcute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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 (90.9%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2A (11.4%)；Acute Tox. 4 (90.9%)；STOT SE 3 (11.4%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: DO9625000
hs_code: 29221985
risk_code: 20/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36
Storage Class: 11 - Combustible Solids
Hazard statements: H302+H332
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 Oral
Precautionary statements: P261-P264-P270-P271-P301+P312-P304+P340+P312

Chemistry & industry

Applications · 2 items

Usesα-(Methylaminomethyl)benzyl alcohol was used in the synthesis of 1,4-disubstituted-2,3,4,5-tetrahydro-1H-3-benzazepines. It was also used as internal standard during determination of pseudoephedrine and phenylpropanolamine urine concentrations by HPLC.

General Descriptionα-(Methylaminomethyl)benzyl alcohol is a potential substrate for studies involving phenylethanolamine-N-methyltransferase.

Suppliers47 total

山东天微医药科技有限公司+86-18653895227 · [email protected]

Shandong Hanjiang Chemical Co., Ltd+86-0533-2066820 +8618369939125 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

南京圣亿来化工有限公司19951936396 · [email protected]

常州市华阳科技有限公司+8615250961469 · [email protected]

Additional notes · 1 item

DefinitionChEBI: N-methylphenylethanolamine is an alkaloid that is ethanolamine having the phenyl group at the 1-position and a methyl group attached to the nitrogen. It has been isolated from Halostachys caspica. It has a role as a human metabolite and a plant metabolite. It is an alkaloid and a member of phenylethanolamines. It is a conjugate base of a N-methylphenylethanolaminium.