Tert-butyl (piperidin-4-ylmethyl)carbamate

HCID 723429

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Basic information

CAS: 135632-53-0
Standard SMILES: CC(C)(C)OC(=O)NCC1CCNCC1
InChIKey: VHYXAWLOJGIJPC-UHFFFAOYSA-N
Molecular formula: C11H22N2O2
Average molar mass: 214.3 g/mol
Monoisotopic mass: 214.16812794

Names & identifiers

Preferred name: Tert-butyl (piperidin-4-ylmethyl)carbamate
IUPAC: tert-butyl N-(piperidin-4-ylmethyl)carbamate
English name: 4-(Boc-Aminomethyl)piperidine
Molecular formula: C11H22N2O2
Molecular weight: 214.31

Names & synonyms

tert-butyl (piperidin-4-ylmethyl)carbamateRefChem:891944619-591-7135632-53-04-(Boc-Aminomethyl)piperidine4-(tert-Butoxycarbonylaminomethyl)piperidine4-Boc-aminomethyl-piperidinetert-butyl N-(piperidin-4-ylmethyl)carbamate4-N-Boc-aminomethyl piperidine4-(n-boc-aminomethyl)piperidineTert-butyl N-(4-piperidylmethyl)carbamate4-(Boc-aminomethyl) piperidine

Show more names

PIP(4-BOC-AM)BUTTPARK 43\57-92(BOC-4-AMINOMETHYL)PIPERIDINE4-(2-BOC-AMINOMETHYL) PIPERIDINEme: 4-(Boc-Aminomethyl)piperidine4-(Boc-aminomethyl)piperidine,97%

tert-butyl piperidin-4-ylmethylcarbamateMFCD016312144-n-boc-aminomethylpiperidinetert-butyl n-(4-piperidinylmethyl)carbamateCarbamic acid, (4-piperidinylmethyl)-, 1,1-dimethylethyl esterDTXSID00352339tert-butyl N-[(piperidin-4-yl)methyl]carbamatetert-butyl(piperidin-4-ylmethyl)carbamate

Database identifiers

CAS: 135632-53-0
PubChem CID: 723429
DTXSID: DTXSID00352339
EC Number: 619-591-7
Nikkaji: J1.806.359J

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 205

Physicochemical properties

Melting point: 106 °C · 106 °C
Boiling point: 321.8 · 321.8±15.0 °C(Predicted)
Density: 0.981 · 0.981±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in DMSO.
pka: 12.72 · 12.72±0.46(Predicted)
form: powder to crystal
color: White to Almost white
CAS DataBase Reference: 135632 · 135632-53-0(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/38
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3259 · 3259
Hazard Note: Corrosive
HazardClass: IRRITANT
PackingGroup: Ⅲ
HS Code: 29333990 · 29333990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (18.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1C (18.8%)

Safety data

ridadr: 3259
hs_code: 29333990
risk_code: 34-36/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: Ⅲ
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4-(Boc-aminomethyl)piperidine is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.