tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate

HCID 19081094

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Basic information

CAS: 140645-53-0
Standard SMILES: CC(C)(C)OC(=O)N1CCOC(CN)C1
InChIKey: MTMBHUYOIZWQAJ-UHFFFAOYSA-N
Molecular formula: C10H20N2O3
Average molar mass: 216.28 g/mol
Monoisotopic mass: 216.1473925

Names & identifiers

Preferred name: tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
IUPAC: tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
English name: 2-Aminomethyl-4-Boc-morpholine
Molecular formula: C10H20N2O3
Molecular weight: 216.28

Names & synonyms

140645-53-0tert-butyl 2-(aminomethyl)morpholine-4-carboxylateDTXSID60597885RefChem:383167DTXCID50548644818-653-22-Aminomethyl-4-Boc-morpholine4-Boc-2-Aminomethylmorpholine4-Boc-(2-Aminomethyl)morpholine4-BOC-2-(AMINOMETHYL)MORPHOLINE4-MORPHOLINECARBOXYLIC ACID, 2-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTERN-Boc-2-aminomethylmorpholine

Show more names

BUTTPARK 90\06-254-N-Boc-2-aminomethylmorpholine(RS)-4-Boc-2-(aMinoMethyl)Morpholine4-Boc-2-aminomethylmorpholine, CAS 140645-53-0TERTIO-BUTYL 2-(AMINOMETHYL)MORPHOLINE-4-CARBOXYLATE

2-(Aminomethyl)morpholine, 4-BOC protectedMFCD064106332-Aminomethyl-morpholine-4-carboxylic acid tert-butyl esterSCHEMBL60605CHEMBL4590147MTMBHUYOIZWQAJ-UHFFFAOYSA-NSBB095297AKOS010592783

Database identifiers

CAS: 140645-53-0
PubChem CID: 19081094
DTXSID: DTXSID60597885
ChEMBL: CHEMBL4590147
EC Number: 818-653-2

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 64.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Physicochemical properties

Boiling point: 310.7 · 310.7±27.0 °C(Predicted)
Density: 1.078 · 1.078±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.37 · 9.37±0.29(Predicted)
Appearance: White to off-white Solid
optical activity: Consistent with structure
InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3
InChIKey: MTMBHUYOIZWQAJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCOC(CN)C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi,T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
RIDADR: 2811 · UN2811
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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. 3 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Dam. 1 (50%)；STOT SE 3 (50%)

Safety data

ridadr: UN2811
hs_code: 2934999090
risk_code: 25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 45
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Boc-(2-aminomethyl)morpholine is used as a reagent in the discovery of novel small molcules that activate satellite cell proliferation and enhance repair of damaged muscle.