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3-Methoxy-dl-tyrosine

3-Methoxy-dl-tyrosine structure

CAS No:
7636-26-2
Formula:
C10H13NO4
Chemical Name:
3-Methoxy-dl-tyrosine
Synonyms:
Tyrosine,3-methoxy-;Alanine,3-(4-hydroxy-3-methoxyphenyl)-;3-Methoxytyrosine;3-Methoxy-4-hydroxyphenylalanine;3-(4-Hydroxy-3-methoxyphenyl)alanine;4-Hydroxy-3-methoxyphenylalanine;DL-3-Methoxy-4-hydroxyphenylalanine;3-Methoxy-dl-tyrosine;DL-3-O-Methyldopa;DL-3-Methoxytyrosine;NSC 122476;2-Amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid;3-Methoxy-D,L-tyrosine;4214-13-5
Categories:
Analytical Chemistry > Standard

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Description

Solid

3-Methoxytyrosine is a tyrosine derivative.

3-Methoxy-dl-tyrosine Basic Attributes

Molecular Weight：

211.21

Exact Mass：

211.21

NSC Number：

122476

Characteristics

PSA：

92.8

XLogP3：

0.08

Density：

1.3±0.1 g/cm3

Melting Point：

268 °C (decomp)

Boiling Point：

407.3±45.0 °C at 760 mmHg

Flash Point：

200.1±28.7 °C

Refractive Index：

1.591

Collision Cross Section：

153.2 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|150.4 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|148.1 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|150.8 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|150.8 Å² [M-2H+Na]-

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

22-36/37/38

safety instructions：

22-26-36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-methoxydopa

Computed Properties

Molecular Weight:211.21
XLogP3:-2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:211.08445790
Monoisotopic Mass:211.08445790
Topological Polar Surface Area:92.8
Heavy Atom Count:15
Complexity:222
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes