2-아미노메틸-4-BOC-모르폴린

tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate

HCID 19081094

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 140645-53-0
표준 SMILES: CC(C)(C)OC(=O)N1CCOC(CN)C1
InChIKey: MTMBHUYOIZWQAJ-UHFFFAOYSA-N
분자식: C10H20N2O3
평균 분자량: 216.28 g/mol
단동위원소 질량: 216.1473925

이름 및 식별자

우선 이름: tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
IUPAC: tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
현지명: 2-아미노메틸-4-BOC-모르폴린
영어명: 2-Aminomethyl-4-Boc-morpholine
분자식: C10H20N2O3
분자량: 216.28

이름 및 동의어

140645-53-0tert-butyl 2-(aminomethyl)morpholine-4-carboxylateDTXSID60597885RefChem:383167DTXCID50548644818-653-22-Aminomethyl-4-Boc-morpholine4-Boc-2-Aminomethylmorpholine4-Boc-(2-Aminomethyl)morpholine4-BOC-2-(AMINOMETHYL)MORPHOLINE4-MORPHOLINECARBOXYLIC ACID, 2-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTERN-Boc-2-aminomethylmorpholine

이름 더 보기

2-아미노메틸-4-BOC-모르폴린BUTTPARK 90\06-254-N-Boc-2-aminomethylmorpholine(RS)-4-Boc-2-(aMinoMethyl)Morpholine4-Boc-2-aminomethylmorpholine, CAS 140645-53-0TERTIO-BUTYL 2-(AMINOMETHYL)MORPHOLINE-4-CARBOXYLATE

2-(Aminomethyl)morpholine, 4-BOC protectedMFCD064106332-Aminomethyl-morpholine-4-carboxylic acid tert-butyl esterSCHEMBL60605CHEMBL4590147MTMBHUYOIZWQAJ-UHFFFAOYSA-NSBB095297AKOS010592783

데이터베이스 식별자

CAS: 140645-53-0
PubChem CID: 19081094
DTXSID: DTXSID60597885
ChEMBL: CHEMBL4590147
EC Number: 818-653-2

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 64.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 225

물리화학적 성질

끓는 점: 310.7 · 310.7±27.0 °C(Predicted)
밀도: 1.078 · 1.078±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 9.37 · 9.37±0.29(Predicted)
InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3
InChIKey: MTMBHUYOIZWQAJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCOC(CN)C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.