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tert-Butyl 1-piperazinecarboxylate(CAS No. 57260-71-6)

tert-Butyl 1-piperazinecarboxylate C9H18N2O2 (cas 57260-71-6) Molecular Structure

57260-71-6 Structure

Identification and Related Records

【Name】
tert-Butyl 1-piperazinecarboxylate
【CAS Registry number】
57260-71-6
【Synonyms】
tert-Butylpiperazine-1-carboxylate
Boc-piperazine hydrochloride
1-boc-piperazine-1-carboxylate
N-Tert-Butoxycarbonylpiperazine
1-Piperazinecarboxylic acid, 1,1-dimethylethyl ester
N-BOC piperazine
1-BOC-Piperazine
1-N-Boc-piperazine
tert-butyl 2,3,5,6-tetrahydropyrazine-1-carboxylate
tert-butyl piperazine-1-carboxylate
N-t-Butoxycarbonylpiperazine
【Molecular Formula】
C9H18N2O2 (Products with the same molecular formula)
【Molecular Weight】
186.25142
【Inchi】
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
【InChIKey】
CWXPZXBSDSIRCS-UHFFFAOYSA-N
【Canonical SMILES】
CC(C)(C)OC(=O)N1CCNCC1
【MOL File】
57260-71-6.mol

Chemical and Physical Properties

【Appearance】
white or yellowish crystal
【Density】
1.03 g/cm3
【Melting Point】
47-49 oC
【Boiling Point】
258 °C at 760 mmHg
【Vapour】
0.0141mmHg at 25°C
【Flash Point】
109.8 °C
【HS Code】
29335995
【Storage temp】
Refrigerator
【Computed Properties】
Molecular Weight:186.25142 [g/mol]
Molecular Formula:C9H18N2O2
XLogP3-AA:0.5
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:186.136828
MonoIsotopic Mass:186.136828
Topological Polar Surface Area:41.6
Heavy Atom Count:13
Formal Charge:0
Complexity:181
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4.2
Conformer Sampling RMSD:0.6
CID Conformer Count:12

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
WGK Germany:3
HazardClass:IRRITANT
Hazard Note:Irritant
HS Code:29335995
【Specification】

Waxy Solid
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing

Supplier Location

Top Suppliers

Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Diamond member Hubei XinRunde Chemical Co., Ltd
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Telephone:86-188-74586545
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Business Type:Manufacturer
Telephone:86-21-33758180
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Country:ChinaChina
Business Type:Trading Company
Telephone:86-312-18103315327
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Business Type:Manufacturer
Telephone:86-311-66600578
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Telephone:86-571-85829152
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Country:ChinaChina
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Telephone:86-25-83697070
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Business Type:Manufacturer
Telephone:86-27-87465837
Diamond member Genchem & Genpharm(Changzhou) CO., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-519-85720003

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