CC(C)(C)OC(=O)N1CCCNCC1
CAS: 112275-50-0
Name: tert-butyl 1,4-diazepane-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCCNCC1

Molecular Processing

Molecular formula
C10H20N2O2
Molecular weight
200.28
Exact mass
200.1525
XLogP
1.22
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
55.29

Supplementary Information

InChIKey: WDPWEXWMQDRXAL-UHFFFAOYSA-N
Synonyme
tert-butyl 1,4-diazepane-1-carboxylateRefChem:891988628-955-4112275-50-01-Boc-homopiperazine1-Boc-hexahydro-1,4-diazepine1-(tert-butoxycarbonyl)homopiperazineMFCD00276987[1,4]diazepane-1-carboxylic acid tert-butyl esterBOC-HOMOPIPERAZINEt-butyl 1,4-diazepane-1-carboxylateF2145-01961-Boc-1,4-diazepanetert-butyl 1,4-diazaperhydroepinecarboxylateN-(t-Butyloxycarbonyl)-homopiperazine hydrochloride1,4-Diazepane, N1-BOC protectedn-boc homopiperazinen-boc-homopiperazine1-BOC-homopiperizine4-Boc-1,4-diazepane1-Boc-[1,4]diazapane1-Boc-[1,4]diazepaneSCHEMBL401061-t-butoxycarbonylhomopiperazineorb2940552SCHEMBL2090314tert-butoxycarbonyl homopiperazineDTXSID30373214t-Butyloxycarbonyl-1,4-diazepaneWDPWEXWMQDRXAL-UHFFFAOYSA-N
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