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Merck
CN

96081

N-Z-1,4-Butanediamine hydrochloride

≥98.0% (AT)

Synonym(s):

Benzyl N-(4-aminobutyl)carbamate hydrochloride

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About This Item

Linear Formula:
C6H5CH2OCONH(CH2)4NH2.HCl
CAS Number:
18807-73-3
Molecular Weight:
258.74
UNSPSC Code:
12352202
NACRES:
NA.22
PubChem Substance ID:
57653738
MDL number:
MFCD00270149
Beilstein/REAXYS Number:
4725911
Assay:
≥98.0% (AT)
Form:
powder

Key Documents

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InChI

1S/C12H18N2O2.ClH/c13-8-4-5-9-14-12(15)16-10-11-6-2-1-3-7-11;/h1-3,6-7H,4-5,8-10,13H2,(H,14,15);1H

SMILES string

NCCCCNC(OCC1=CC=CC=C1)=O.[H]Cl

InChI key

ZVNNCIIFBSRHFE-UHFFFAOYSA-N

assay

≥98.0% (AT)

form

powder

reaction suitability

reagent type: cross-linking reagent

mp

192-196 °C

functional group

Cbz, amine

Other Notes

Protected diamine building block, e.g. synthesis of spermidine analogues

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
1421285V
1412458V
1412458
1421285
15565/1

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J R Lakanen et al.
Journal of medicinal chemistry, 35(4), 724-734 (1992-02-21)
In order to assess the tolerance of the target enzyme spermine synthase for alpha-substituents on the aminopropyl moiety of the substrate spermidine, 1-methylspermidine (MeSpd, 2) was synthesized. It was determined that MeSpd is a poor substrate for spermine synthase and
I. Levchine et al.
Synthesis, 37-37 (1994)
A.G. Kalivretenos et al.
The Journal of Organic Chemistry, 58, 6596-6596 (1993)

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