CS-0000088

Tert-butyl 3-(benzyloxycarbonylamino)azepane-1-carboxylate

Manufacturer: ChemScene

CAS Number: 1044561-17-2

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Purity

98%

MDL No

None

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₁₉H₂₈N₂O₄

Molecular Weight

348.44

Synonyms

tert-Butyl 3-{[(benzyloxy)carbonyl]amino}azepane-1-carboxylate

SMILES

O=C(NC1CN(CCCC1)C(OC(C)(C)C)=O)OCC2=CC=CC=C2

Tpsa

67.87

Logp

3.7024

H Acceptors

4

H Donors

1

Rotatable Bonds

3

Other Options

Image Product Name Manufacturer Price Range
BM21682
1044561-17-2 | Tert-butyl 3-(benzyloxycarbonylamino)azepane-1-carboxylate
A2B Chem --

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SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

Precautionary Statements

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Img

ChemScene

CS-0000088

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₉H₂₈N₂O₄

Molecular Weight:
348.44

Synonyms:
tert-Butyl 3-{[(benzyloxy)carbonyl]amino}azepane-1-carboxylate

SMILES:
O=C(NC1CN(CCCC1)C(OC(C)(C)C)=O)OCC2=CC=CC=C2

Tpsa:
67.87

Logp:
3.7024

H Acceptors:
4

H Donors:
1

Rotatable Bonds:
3

Img

ChemScene

CS-0000090

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Purity:
98%

MDL No:
MFCD16658807

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₃H₁₆F₃N₃O₂

Molecular Weight:
303.28

Synonyms:
Piperazine, 1-methyl-4-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]-

SMILES:
CN1CCN(CC2=CC=C(C=C2C(F)(F)F)[N+]([O-])=O)CC1

Tpsa:
49.62

Logp:
2.361

H Acceptors:
4

H Donors:
0

Rotatable Bonds:
3

Img

ChemScene

CS-0000093

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Purity:
97%

MDL No:
MFCD11053713

Storage:
Store at room temperature

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₆H₅N₃O₂

Molecular Weight:
151.12

Synonyms:
PYRROLO[2,1-F][1,2,4]TRIAZINE-2,4-DIONE

SMILES:
O=C1C2=CC=CN2NC(N1)=O

Tpsa:
70.13

Logp:
-0.6841

H Acceptors:
3

H Donors:
2

Rotatable Bonds:
0

Img

ChemScene

CS-0000094

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₂₀H₁₄N₄O₂

Molecular Weight:
342.35

Synonyms:
WAYZFSAJPAKLSW-UHFFFAOYSA-N

SMILES:
O=C(O)C(C=C1)=CC=C1C2=NC=CC(C3=CNN=C3C4=CC=CC=N4)=C2

Tpsa:
91.76

Logp:
3.8989

H Acceptors:
4

H Donors:
2

Rotatable Bonds:
4