CS-0442428

Benzyl 1,2,5-triazepane-5-carboxylate

Manufacturer: ChemScene

CAS Number: 1208309-22-1

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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

C₁₂H₁₇N₃O₂

Molecular Weight

235.28

Synonyms

[1,2,5]Triazepane-5-carboxylic acid benzyl ester

SMILES

C1=CC=C(C=C1)COC(=O)N2CCNNCC2

Tpsa

53.6

Logp

0.733

H Acceptors

4

H Donors

2

Rotatable Bonds

2

Other Options

Image Product Name Manufacturer Price Range
AE23261
1208309-22-1 | [1,2,5]Triazepane-5-carboxylic acid benzyl ester
A2B Chem --

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-0442428

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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:
C₁₂H₁₇N₃O₂

Molecular Weight:
235.28

Synonyms:
[1,2,5]Triazepane-5-carboxylic acid benzyl ester

SMILES:
C1=CC=C(C=C1)COC(=O)N2CCNNCC2

Tpsa:
53.6

Logp:
0.733

H Acceptors:
4

H Donors:
2

Rotatable Bonds:
2

Img

ChemScene

CS-0442429

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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:
C₁₁H₂₂N₂O

Molecular Weight:
198.31

Synonyms:
None

SMILES:
CC1CN(CC(C)O1)CC2CCCN2

Tpsa:
24.5

Logp:
0.8476

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
2

Img

ChemScene

CS-0442430

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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:
C₈H₉N₂NaO₂

Molecular Weight:
188.16

Synonyms:
None

SMILES:
CC(C)(C1=CN=CC=N1)C(=O)[O-].[Na+]

Tpsa:
65.91

Logp:
-3.4919

H Acceptors:
4

H Donors:
0

Rotatable Bonds:
2

Img

ChemScene

CS-0442431

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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:
C₈H₁₂N₂O

Molecular Weight:
152.19

Synonyms:
3-Cyano-3-(pyrrolidin-1-yl)oxetane

SMILES:
C1CCN(C1)C2(C#N)COC2

Tpsa:
36.26

Logp:
0.37478

H Acceptors:
3

H Donors:
0

Rotatable Bonds:
1